SCHEMBL520702

SCHEMBL520702

O=C(c1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
PHGDH O43175 2/20 0.69
ALDH1A1 P00352 3/20 0.67
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
HPGD P15428 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
RAB9A P51151 1/20 0.64
AKR1C3 P42330 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
GAA P10253 2/20 0.62
POLB P06746 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 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
SCHEMBL11810488 0.89 ALDH1A1 (0.57) KDM4EPHGDHALDH1A1KMT2AMEN1
SCHEMBL9152022 0.88 CA12 (0.77) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL13872882 0.85 PHGDH (0.63) KDM4EPHGDHALDH1A1KMT2AMEN1
SCHEMBL1877246 0.85 KMT2A (0.80) ALDH1A1KMT2AMEN1HPGDCA12
SCHEMBL4724436 0.85 KMT2A (0.75) ALDH1A1KMT2AMEN1HPGDRAB9A
SCHEMBL27333083 0.84 PHGDH (0.74) KDM4EPHGDHALDH1A1KMT2AMEN1
SCHEMBL10720943 0.84 PHGDH (0.81) KDM4EPHGDHALDH1A1KMT2AHPGD
SCHEMBL10975877 0.84 PHGDH (0.74) KDM4EPHGDHALDH1A1KMT2AHPGD
SCHEMBL14581172 0.84 KDM4E (0.74) KDM4EPHGDHALDH1A1RAB9AAKR1C3
SCHEMBL15695605 0.84 KDM4E (0.74) KDM4EPHGDHALDH1A1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114605329-B Substituted indazole carboxamides or substituted azaindazole carboxamides FLT3 inhibitors and uses thereof 河南中医药大学 2024-01-26 CN disclosed
CN-109970717-B 4- (alicyclic pyrimidine/pyridine substituted) amino-1H-3-pyrazolecarboxamide FLT3 inhibitor and application thereof 中国药科大学 2022-10-18 CN disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
WO-2014125410-A1 N-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-21 WO disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
US-4631085-A Aqueous ink composition for ink-jet recording RICOH COMPANY, LTD. (JP) 1986-12-23 US disclosed
US-4499167-A Photoconductive compositions comprising an organic photoconductor and an amide compound and electro-photographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-12 US 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 (2 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-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B KDM4E 1450/4885PHGDH 633/4885ALDH1A1 399/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 KDM4E 192/4885PHGDH 2568/4885ALDH1A1 779/4885

“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.