SCHEMBL97838

SCHEMBL97838

CCOc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 1/20 0.54
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL13440151 0.88 CYP19A1 (0.52) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL13440156 0.88 CYP19A1 (0.55) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL18113435 0.88 HTT (0.57) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL22660904 0.87 MAPT (0.57) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL1185312 0.85 TDP1 (0.57) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL3998504 0.85 SMN1; SMN2 (0.62) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL25229750 0.85 MAPT (0.56) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL10232058 0.85 ALDH1A1 (0.58) MAPTTDP1POLBMAPK1ALDH1A1
SCHEMBL27924546 0.85 CYP19A1 (0.58) TDP1ALDH1A1CYP3A4ALOX15HTT
SCHEMBL4036366 0.84 MAPT (0.52) MAPTTDP1POLBMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107422112-B It is a kind of to detect the immune reagent kit of ethopabate, preparation method and application 河南科技大学 2019-01-04 CN claimed
CN-107422112-A A kind of immune reagent kit for detecting ethopabate, preparation method and application 河南科技大学 2017-12-01 CN claimed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
EP-4157888-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS Cullgen (Shanghai), Inc. (CN) 2023-04-05 EP disclosed
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-02-23 US disclosed
WO-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 WO disclosed
CN-107422112-B It is a kind of to detect the immune reagent kit of ethopabate, preparation method and application 河南科技大学 2019-01-04 CN disclosed
CN-107422112-A A kind of immune reagent kit for detecting ethopabate, preparation method and application 河南科技大学 2017-12-01 CN disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
WO-2006026754-A9 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON INC (US) 2006-04-20 WO disclosed
WO-2006026754-A2 BICYCLIC HETEROARYL PDE4B INHIBITORS PLEXXIKON, INC. (US) 2006-03-09 WO disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO disclosed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 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 (4 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-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H MAPT 59/4885TDP1 783/4885POLB 11/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 MAPT 3010/4885TDP1 136/4885POLB 273/4885
US-20230057177-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 MAPT 3010/4885TDP1 136/4885POLB 273/4885
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A MAPT 4356/4885TDP1 673/4885POLB 2355/4885

“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.