SCHEMBL2138281

SCHEMBL2138281

COC(=O)c1cccc(NN)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
RAB9A P51151 5/20 0.63
POLB P06746 1/20 0.63
NPC1 O15118 3/20 0.59
LOXL2 Q9Y4K0 1/20 0.57
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TCF4 P15884 2/20 0.54
CTNNB1 P35222 2/20 0.54
HTT P42858 1/20 0.54
ROCK1 Q13464 1/20 0.54
TSHR P16473 1/20 0.53

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
Hydrochloric Acid SCHEMBL1403300 0.98 ALDH1A1 (0.64) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL7263642 0.93 POLB (0.69) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL14380453 0.84 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL28222851 0.84 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL20984597 0.84 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL1000086 0.84 ALDH1A1 (0.47) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL30444499 0.83 RAB9A (0.66) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL13808968 0.83 RAB9A (0.65) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL19647678 0.83 RAB9A (0.65) ALDH1A1RAB9APOLBNPC1LOXL2
SCHEMBL694145 0.83 RAB9A (0.66) ALDH1A1RAB9APOLBNPC1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528884-A 1, 5-Diaryl-1, 2, 4-triazole derivative targeted at Myoferlin as well as synthesis and application thereof 华东师范大学 2025-02-28 CN disclosed
CN-108473502-B 4, 6-dihydropyrrolo [3,4-C ] pyrazole-5 (1H) -carbonitrile derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-26 CN disclosed
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2022-04-19 US disclosed
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 US disclosed
EP-3430012-B1 4,6-DIHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBONITRILE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 EP disclosed
CN-106543092-B Bis- aromatic radical -1,2,4- triazole compound of 1,5- and its pharmaceutical applications 华东师范大学 2019-05-17 CN disclosed
EP-3430012-A1 4,6 DIHYDROPYRROLO [3,4-C]PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
CN-106543092-A 1,5 2 aromatic radical, 1,2,4 triazole compound and its pharmaceutical applications 华东师范大学 2017-03-29 CN disclosed
CN-102977091-B Fragrance alkyloyl tetrahydro-beta-carboline and the application of derivative in treatment metabolic disease thereof EAST CHINA NORMAL UNIVERSITY (CN) 2016-03-09 CN disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
CN-1043766-C Indole derivative and preparation and pharmaceutical using of same TORAY INDUSTRIES (JP) 1999-06-23 CN disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
CN-1104412-A Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 1995-06-28 CN disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
CN-1092425-A Indole derivatives, its manufacture method and medicinal use thereof TORAY INDUSTRIES (JP) 1994-09-21 CN disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 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 (3 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 ALDH1A1 567/4885RAB9A 1097/4885POLB 1842/4885
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer USP7, USP1, USP3 ALDH1A1 567/4885RAB9A 1097/4885POLB 1842/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 ALDH1A1 316/4885RAB9A 1379/4885POLB 2015/4885

“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.