SCHEMBL1531297

SCHEMBL1531297

CNc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
CTSV O60911 2/20 0.66
CTSL P07711 2/20 0.66
KMT2A Q03164 5/20 0.64
MEN1 O00255 4/20 0.61
GAA P10253 1/20 0.61
MYC P01106 1/20 0.58
MAX P61244 1/20 0.58
ALDH1A1 P00352 3/20 0.58
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C1 Q04828 1/20 0.57
NPC1 O15118 1/20 0.56
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CDK2 P24941 1/20 0.56

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
SCHEMBL3694733 0.87 MAPT (0.77) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL6625749 0.85 MAPT (0.73) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL8578400 0.84 MAPT (0.73) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL6160631 0.84 MAPT (0.72) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL3279807 0.84 MAPT (0.72) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL11870435 0.83 MAPT (0.71) MAPTCTSVCTSLKMT2AMEN1
Hydrochloric Acid SCHEMBL15054415 0.83 MAPT (0.71) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL4211532 0.83 KMT2A (0.72) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL17434401 0.83 MAPT (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL12825213 0.82 MAPT (0.69) MAPTCTSVCTSLKMT2AMEN1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186082-A 3- (2H-benzopyran-3-yl) -5-phenyl-1, 2, 4-oxadiazole derivative and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2023-12-08 CN disclosed
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
US-20210120813-A1 INHIBITORS OF THE SHIKIMATE PATHWAY ADAMA AGAN LTD. (IL) 2021-04-29 US disclosed
US-20210120813-A1 INHIBITORS OF THE SHIKIMATE PATHWAY ADAMA AGAN LTD. (IL) 2021-04-29 US disclosed
CN-103097359-B Compounds as microsomal prostaglandin E2 synthase-1 inhibitors 贝林格尔.英格海姆国际有限公司 2016-08-17 CN disclosed
US-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
CN-1147248-A N- (3-pyrrolidinyl) benzamide derivatives YAMANOUCHI PHARMA CO LTD (JP) 1997-04-09 CN disclosed
EP-0170069-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1989-10-11 EP disclosed
US-4619666-A Hair dyes containing amino-nitrobenzoic acid or amino-nitrobenzene sulfonic acids as substantive dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-10-28 US disclosed
EP-0170069-A1 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1986-02-05 EP disclosed
US-4089078-A Arylazopyrazolone dyes for polyester AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-05-16 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-20210120813-A1 INHIBITORS OF THE SHIKIMATE PATHWAY KMO, PIKFYVE, DDT MAPT 4000/4885CTSV 2705/4885CTSL 3628/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R MAPT 1990/4885CTSV 4250/4885CTSL 3425/4885

“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.