SCHEMBL3158207

SCHEMBL3158207

O=[N+]([O-])c1ccc(CN2CCc3ccccc3C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ABCB1 P08183 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
HPGD P15428 3/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
SIGMAR1 Q99720 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
KDM4E B2RXH2 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
DRD2 P14416 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54

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
SCHEMBL3149701 0.93 KDM4E (0.63) MEN1KMT2ASIGMAR1ALDH1A1MAPT
SCHEMBL3157399 0.90 KDM4E (0.58) MEN1KMT2ASIGMAR1ALDH1A1MAPT
SCHEMBL7598211 0.86 ABCB1 (0.74) MEN1KMT2AABCB1ABCG2SIGMAR1
SCHEMBL6961010 0.85 TAAR1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6291722 0.85 GRIN2B (0.55) MEN1KMT2ACYP2D6CYP2C19ALDH1A1
SCHEMBL6296037 0.85 DRD4 (0.54) CYP2D6CYP2C19SIGMAR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8186681 0.84 GRIN2B (0.54) CYP2D6CYP2C19SIGMAR1ALDH1A1MAPT
SCHEMBL3152306 0.84 ACACB (0.55) ABCB1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3143480 0.84 DRD2 (0.53) ABCB1SIGMAR1ALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6961966 0.84 TAAR1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed
US-9585880-B2 Cyclic amino compounds for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-03-07 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 US disclosed
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-21 US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-20030138846-A1 Solid phase supports AKZO NOBEL N.V. (NL) 2003-07-24 US disclosed
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6486354-B1 Solid phase supports AKZO NOBEL N.V. (NL) 2002-11-26 US disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 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 (5 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 MEN1 2824/4885KMT2A 2512/4885ABCB1 3117/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 MEN1 2824/4885KMT2A 2512/4885ABCB1 3117/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 MEN1 2824/4885KMT2A 2512/4885ABCB1 3117/4885
US-20030138846-A1 Solid phase supports NES, CCNY, CCNA2 MEN1 814/4885KMT2A 297/4885ABCB1 2899/4885
US-20150141456-A1 CYCLIC AMINO COMPOUNDS FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, AKAP8L MEN1 3895/4885KMT2A 1418/4885ABCB1 2177/4885

“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.