SCHEMBL417378

SCHEMBL417378

CNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
CTSD P07339 1/20 0.69
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
HTT P42858 3/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALPL P05186 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
HPGD P15428 3/20 0.57

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
SCHEMBL15997924 0.86 ALDH1A1 (0.80) ALDH1A1CTSDKDM4EMAPTCYP1A2
SCHEMBL27602570 0.84 TSHR (0.68) ALDH1A1SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL12260755 0.84 CRHBP (0.62) ALDH1A1SLC6A2SLC6A4SLC6A3CTSD
SCHEMBL6971514 0.83 ALDH1A1 (0.76) ALDH1A1CTSDKDM4EMAPTCYP1A2
SCHEMBL31621278 0.83 ALDH1A1 (0.76) ALDH1A1CTSDKDM4EMAPTCYP1A2
SCHEMBL296470 0.83 ALDH1A1 (0.76) ALDH1A1CTSDKDM4EMAPTCYP1A2
SCHEMBL2508349 0.83 SLC6A2 (0.58) ALDH1A1SLC6A2SLC6A4SLC6A3CTSD
SCHEMBL13070932 0.83 SLC6A2 (0.58) ALDH1A1SLC6A2SLC6A4SLC6A3CTSD
SCHEMBL430054 0.83 SLC6A2 (0.58) ALDH1A1SLC6A2SLC6A4SLC6A3CTSD
SCHEMBL11909404 0.83 SLC6A2 (0.58) ALDH1A1SLC6A2SLC6A4SLC6A3CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118043459-A Chemically modified oligonucleotides 菲奥医药公司 2024-05-14 CN disclosed
CN-111072571-B Dithiocarbamates as FAK inhibitors 北京西博医药研究有限公司 2021-05-14 CN disclosed
CN-111072571-A Dithiocarbamates as FAK inhibitors 北京西博医药研究有限公司 2020-04-28 CN disclosed
CN-109996546-A P2X3And/or P2X2/3Compounds and methods 阿沙纳生物科学公司 2019-07-09 CN disclosed
CN-108707139-A Amino-metadiazine compound and its preparation method and application 北京浦润奥生物科技有限责任公司 2018-10-26 CN disclosed
CN-104703976-B Double (fluoroalkyls) 1,4 benzodiazepine * assimilation compound is used as NOTCH inhibitor 百时美施贵宝公司 2017-03-08 CN disclosed
US-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-11 US disclosed
CN-104703976-A Bis(fluoroalkyl)-1,4-benzodiazepinone compounds as notch inhibitors BRISTOL MYERS SQUIBB CO 2015-06-10 CN disclosed
US-8765773-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
CN-102666540-A Fused azine derivatives for the treatment of acetylcholine receptor related diseases MSD OSS BV 2012-09-12 CN disclosed
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-5965576-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5705505-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed
CN-1142822-A Cyclic amide derivatives as neurokinin A antagonists ZENECA LTD (GB) 1997-02-12 CN disclosed
US-5589489-A Cyclic amide derivatives for treating asthma ZENECA LIMITED (GB) 1996-12-31 US disclosed
EP-0734383-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1996-10-02 EP disclosed
EP-0371564-B1 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-07-12 EP disclosed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP 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 (1 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-20160039789-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 ALDH1A1 298/4885SLC6A2 4058/4885SLC6A4 3743/4885

“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.