SCHEMBL468044

SCHEMBL468044

Clc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
LTA4H P09960 1/20 0.40
CYP19A1 P11511 1/20 0.39
METAP2 P50579 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPK1 P28482 1/20 0.38
ALOX5 P09917 2/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL500232 0.79 RAB9A (0.46) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL17626009 0.79 ALDH1A1 (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL1916309 0.79 KMT2A (0.47) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL5540279 0.79 RAB9A (0.47) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL2750938 0.79 KMO (0.33) ALOX5TSHR
SCHEMBL10515566 0.79 LTA4H (0.46) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL679565 0.79 AHR (0.46) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL971162 0.79 RAB9A (0.39) RAB9ANPC1MAPTLMNAMEN1
SCHEMBL443517 0.78 LMNA (0.43) RAB9ANPC1MAPTLMNAKMT2A
SCHEMBL70645 0.78 ALDH1A1 (0.42) RAB9ANPC1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247811-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-09-27 EP claimed
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-07 US claimed
CN-116406359-A Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2023-07-07 CN claimed
EP-3919486-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-06-07 EP claimed
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 US claimed
WO-2022106375-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 WO claimed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US claimed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP claimed
EP-3784661-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-03-03 EP claimed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN claimed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US claimed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP claimed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US claimed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP claimed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US claimed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP claimed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US claimed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides CYP4F3, TARS2, TH RAB9A 1179/4885NPC1 4307/4885MAPT 3258/4885
US-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET RAB9A 1583/4885NPC1 143/4885MAPT 2653/4885
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES CYP4F3, TARS2, CYP4X1 RAB9A 961/4885NPC1 4149/4885MAPT 3146/4885
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma HGF, MET, HGFAC RAB9A 1846/4885NPC1 3555/4885MAPT 3100/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A RAB9A 1508/4885NPC1 2524/4885MAPT 4833/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 RAB9A 2496/4885NPC1 143/4885MAPT 4035/4885

“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.