SCHEMBL1590712

SCHEMBL1590712

O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.83
POLB P06746 2/20 0.83
MEN1 O00255 2/20 0.83
ALDH1A1 P00352 7/20 0.69
HPGD P15428 3/20 0.69
LMNA P02545 2/20 0.67
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA7 P43166 1/20 0.66
CA9 Q16790 1/20 0.66
CA14 Q9ULX7 1/20 0.66
EPHX2 P34913 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.60
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
PKM P14618 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1877246 0.98 KMT2A (0.80) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL4724436 0.95 KMT2A (0.75) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL9152022 0.91 CA12 (0.77) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL4689720 0.89 KMT2A (0.68) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL27971693 0.86 CA12 (0.70) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL142197 0.85 CA12 (0.68) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL28866336 0.85 CA12 (0.64) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL4039721 0.85 KMT2A (0.65) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL19313021 0.83 CA12 (0.67) KMT2APOLBMEN1ALDH1A1HPGD
SCHEMBL110101 0.83 ALDH1A1 (0.72) KMT2APOLBMEN1ALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2023-11-28 US disclosed
US-20230338551-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
US-11730818-B2 Degradation of Bruton's tyrosine kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligand and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11712458-B2 Degradation of Bruton's tyrosine kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligand and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-01 US disclosed
CN-111423396-B sEH inhibitor, and preparation method and application thereof 沈阳药科大学 2023-01-06 CN disclosed
US-20220177416-A1 PREPARING METHOD OF COMPOUNDS INCLUDING AMIDE GROUP FROM TERTIARY AMINE Research & Business Foundation Sungkyunkwan University (KR) 2022-06-09 US disclosed
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732073-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF UNIVERSITY OF DELHI (IN) 2017-07-27 US disclosed
US-9567316-B2 Aminoquinoline derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2017-02-14 US disclosed
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 KMT2A 2176/4885POLB 1808/4885MEN1 2916/4885
US-11712458-B2 Degradation of Bruton's tyrosine kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligand and methods of use BTK, CBL, SYK KMT2A 899/4885POLB 2261/4885MEN1 4259/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KMT2A 958/4885POLB 2450/4885MEN1 2745/4885
US-11827628-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 KMT2A 2638/4885POLB 1037/4885MEN1 3157/4885
US-20170298054-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 KMT2A 2638/4885POLB 1037/4885MEN1 3157/4885
US-20220177416-A1 PREPARING METHOD OF COMPOUNDS INCLUDING AMIDE GROUP FROM TERTIARY AMINE TYR, NAT1, SAT1 KMT2A 141/4885POLB 393/4885MEN1 1585/4885
US-11730818-B2 Degradation of Bruton's tyrosine kinase (BTK) by conjugation of BTK inhibitors with E3 ligase ligand and methods of use BTK, CBL, SYK KMT2A 1009/4885POLB 1989/4885MEN1 4114/4885
US-20230338551-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BTK, CBL, SYK KMT2A 1009/4885POLB 1989/4885MEN1 4114/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 KMT2A 958/4885POLB 2450/4885MEN1 2745/4885
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLRP3, AADAT KMT2A 1108/4885POLB 2467/4885MEN1 1549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.