SCHEMBL7128152

SCHEMBL7128152

Cc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.66
ALOX12 P18054 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
RAB9A P51151 3/20 0.65
KIF11 P52732 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 2/20 0.59
ACHE P22303 2/20 0.58
TSHR P16473 1/20 0.58
ALOX5 P09917 2/20 0.55
PTGES O14684 1/20 0.55
CXCR2 P25025 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
STAT1 P42224 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL17364440 0.88 TSHR (0.70) HPGDRAB9AKMT2AMEN1MAPT
SCHEMBL20049529 0.88 HPGD (0.78) HPGDALOX12L3MBTL1RAB9AKIF11
SCHEMBL9186456 0.87 RAB9A (0.61) HPGDALOX12L3MBTL1RAB9AKIF11
SCHEMBL11029782 0.84 HPGD (0.61) HPGDALOX12L3MBTL1RAB9AKIF11
SCHEMBL9243623 0.83 KMT2A (0.59) HPGDALOX12L3MBTL1RAB9AKIF11
SCHEMBL416650 0.82 NPSR1 (0.68) HPGDRAB9AKMT2AMEN1MAPT
SCHEMBL4626757 0.82 HSD17B10 (0.75) HPGDALOX12L3MBTL1RAB9AKIF11
SCHEMBL30145137 0.82 NPSR1 (0.86) HPGDALOX12L3MBTL1KMT2AMEN1
SCHEMBL1922070 0.82 NPSR1 (0.86) HPGDALOX12L3MBTL1KMT2AMEN1
SCHEMBL10523964 0.82 NPSR1 (0.86) HPGDALOX12L3MBTL1KMT2AMEN1

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-111732516-B A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2021-01-05 CN disclosed
CN-111732516-A A kind ofNProcess for preparing (E) -aryl-substituted heterocyclic compounds 南昌大学 2020-10-02 CN disclosed
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 US disclosed
EP-1028964-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2000-08-23 EP disclosed
WO-1999024440-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-05-20 WO disclosed
US-4296037-A 4,5-Dihydro-3,3-diphenyl-4-hydrocarbylaminomethylfuran-2(3H) ones A. H. ROBINS COMPANY, INCORPORATED (US) 1981-10-20 US disclosed
US-4296037-A 4,5-Dihydro-3,3-diphenyl-4-hydrocarbylaminomethylfuran-2(3H) ones A. H. ROBINS COMPANY, INCORPORATED (US) 1981-10-20 US disclosed
EP-0011790-B1 PROCESS FOR THE PREPARATION OF NITRODIPHENYL AMINE DERIVATIVES BAYER AG (DE) 1981-07-15 EP disclosed
US-4238407-A Process for the preparation of nitro diphenyl amine derivatives BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
EP-0011790-A1 Process for the preparation of nitrodiphenyl amine derivatives BAYER AG (DE) 1980-06-11 EP disclosed
US-4144245-A 4-Hydroxymethyl-2-pyrrolidinones A. H. ROBINS COMPANY, INC. (US) 1979-03-13 US disclosed
US-4144245-A 4-Hydroxymethyl-2-pyrrolidinones A. H. ROBINS COMPANY, INC. (US) 1979-03-13 US disclosed
US-4122118-A Copper-N-methylpyrrolidone catalyst useful in the production of nitrodiphenyl amines BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4119637-A 4-Hydroxymethyl-2-pyrrolidinones A. H. ROBINS COMPANY, INC. (US) 1978-10-10 US disclosed
US-4119637-A 4-Hydroxymethyl-2-pyrrolidinones A. H. ROBINS COMPANY, INC. (US) 1978-10-10 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 (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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 HPGD 162/4885ALOX12 2654/4885L3MBTL1 948/4885

“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.