SCHEMBL718333

SCHEMBL718333

Oc1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
NTSR1 P30989 1/20 0.38
LTA4H P09960 1/20 0.38

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
Water SCHEMBL28017584 0.98 MAPT (0.43) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL27804563 0.98 MAPT (0.43) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL13078874 0.89 METAP2 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL16735645 0.81 ABL1 (0.47) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL3508077 0.80 METAP2 (0.45) MAPTALDH1A1POLBHPGDHSD17B10
SCHEMBL3283468 0.78
SCHEMBL20848 0.78 KMT2A (0.44) MAPTALDH1A1POLBHPGDMEN1
SCHEMBL12989702 0.78 AKT1 (0.48) MAPTALDH1A1POLBHSD17B10MEN1
SCHEMBL6166437 0.78 METAP2 (0.44) APP
SCHEMBL1823584 0.78 METAP2 (0.44) MAPTALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946016-A Triazole aryl polyether compound and CO2Gas-soluble viscosity reducer and thickened oil CO2Cold recovery method for improving recovery ratio 中国石油化工股份有限公司 2024-04-30 CN claimed
EP-3773552-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-02-17 EP claimed
WO-2019191229-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2019-10-03 WO claimed
EP-2872511-B1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-01-16 EP claimed
EP-2872508-B1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2018-08-29 EP claimed
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 EP claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
US-20030220371-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2003-11-27 US claimed
EP-1274424-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
EP-1274424-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-15 EP claimed
WO-2001078723-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-25 WO claimed
EP-0011719-B1 6-(2-HYDROXY-4-(1,2,3-TRIAZOLYL-(2))-PHENYL)-2,4-DIOXO-1,3,5-TRIMETHYL-HEXAHYDRO-S-TRIAZINES, AND THEIR PREPARATION AND USE AS INTERMEDIATES IN THE SYNTHESIS OF OPTICAL BLEACHING AGENTS BAYER AG (DE) 1981-09-30 EP claimed
US-4263435-A 6-[2-Hydroxy-4-(1,2,3-triazol-2-yl)-phenyl]-2,4-dioxo-1,3,5-trimethyl-hexahydro-s-triazines and their preparation BAYER AKTIENGESELLSCHAFT (DE) 1981-04-21 US claimed
CN-117946016-A Triazole aryl polyether compound and CO2Gas-soluble viscosity reducer and thickened oil CO2Cold recovery method for improving recovery ratio 中国石油化工股份有限公司 2024-04-30 CN disclosed
EP-0040357-B1 PROCESS FOR THE PREPARATION OF V-TRIAZOLYL-(2) PHENOLS BAYER AG (DE) 1984-09-19 EP disclosed
EP-0040357-A1 Process for the preparation of v-triazolyl-(2) phenols BAYER AG (DE) 1981-11-25 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP MAPT 2605/4885ALDH1A1 677/4885POLB 825/4885
US-20030220371-A1 Compounds and methods METAP2, METAP1, DNPEP MAPT 1864/4885ALDH1A1 1579/4885POLB 1004/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP MAPT 2341/4885ALDH1A1 977/4885POLB 998/4885

“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.