SCHEMBL2070952

SCHEMBL2070952

Cc1cc([N+](=O)[O-])c[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
GLA P06280 1/20 0.61
KDM4E B2RXH2 1/20 0.52
TSHR P16473 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.46
GPR35 Q9HC97 1/20 0.43
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
ACHE P22303 2/20 0.39
HSD17B10 Q99714 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38

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
SCHEMBL8297342 0.79
SCHEMBL3293088 0.78 ALDH1A1 (0.63) ALDH1A1GLAKDM4ETSHRTDP1
SCHEMBL11645181 0.76 ALDH1A1 (0.61) ALDH1A1GLAKDM4ETSHRTDP1
SCHEMBL28282461 0.76 ALDH1A1 (1.00) ALDH1A1GLAKDM4ETSHRTDP1
SCHEMBL28651135 0.76 ALDH1A1 (0.61) ALDH1A1GLAKDM4ETSHRTDP1
SCHEMBL10651010 0.76 ALDH1A1 (0.61) ALDH1A1GLAKDM4ETSHRTDP1
SCHEMBL28302547 0.76 ALDH1A1 (0.56) ALDH1A1GLAKDM4ETSHRGRIA1
SCHEMBL11325306 0.76 ALDH1A1 (0.56) ALDH1A1GLAKDM4ETDP1CYP3A4
SCHEMBL17347283 0.73 ALDH1A1 (0.58) ALDH1A1GLAKDM4ECYP3A4GRIA1
SCHEMBL28498547 0.73 ALDH1A1 (0.53) ALDH1A1GLAKDM4ETSHRGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125626-A1 NITROGENOUS COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF NUPHASE THERAPEUTICS (HANGZHOU) LIMITED., CO. (CN) 2024-06-20 WO disclosed
WO-2024083208-A1 KIF18A PROTEIN INHIBITOR 杭州邦顺制药有限公司 2024-04-25 WO disclosed
CN-117917405-A KIF18A protein inhibitors 杭州邦顺制药有限公司 2024-04-23 CN disclosed
US-9987261-B2 Substituted diazaspiroalkanes as androgen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-05 US disclosed
US-20170014399-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-19 US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 WO disclosed
US-9388159-B2 Substituted diazaspiroalkanes as androgen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-12 US disclosed
EP-2303867-B1 PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
US-20140309262-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-10-16 US disclosed
US-8802689-B2 Androgen receptor modulator for the treatment of prostate cancer and androgen receptor-associated diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-12 US disclosed
US-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2011-07-07 US disclosed
US-7932256-B2 (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile: a pyrazinone modulator of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-26 US disclosed
US-7932256-B2 (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile: a pyrazinone modulator of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-26 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20110003839-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-06 US disclosed
WO-2010014280-A1 PYRAZINONE MODULATOR OF CORTICOTROPIN-RELEASING FACTOR RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-04 WO disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2010-02-04 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
WO-1999057604-A1 NON-LINEAR OPTICAL MATERIALS UNIVERSITY OF STRATHCLYDE (GB) 1999-11-11 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 (6 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-20100029684-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 ALDH1A1 2086/4885GLA 4825/4885KDM4E 3550/4885
US-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 ALDH1A1 2086/4885GLA 4825/4885KDM4E 3550/4885
US-20140309262-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES AR, ESRRA, NR5A1 ALDH1A1 1411/4885GLA 863/4885KDM4E 3283/4885
US-20170014399-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES AR, ESRRA, NR5A1 ALDH1A1 1411/4885GLA 863/4885KDM4E 3283/4885
US-20110003839-A1 ANDROGEN RECEPTOR MODULATOR FOR THE TREATMENT OF PROSTATE CANCER AND ANDROGEN RECEPTOR-ASSOCIATED DISEASES AR, NR5A1, SHBG ALDH1A1 991/4885GLA 1410/4885KDM4E 2986/4885
US-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R ALDH1A1 786/4885GLA 4195/4885KDM4E 3537/4885

“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.