SCHEMBL345759

SCHEMBL345759

Clc1ccc(-c2n[c]on2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
CASP3 P42574 6/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
NR1H4 Q96RI1 1/20 0.41
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RPA1 P27694 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
MEN1 O00255 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
SCHEMBL345937 0.79 NPC1 (0.39) NOTUMCASP3NPC1RAB9ASENP8
SCHEMBL2207084 0.79 NPC1 (0.42) NOTUMCASP3NPC1RAB9ANR1H4
SCHEMBL1435754 0.79 TSHR (0.33)
SCHEMBL30206 0.78 RAB9A (0.44) NOTUMCASP3NPC1RAB9ANR1H4
SCHEMBL5551743 0.77 IDO1 (0.45) NOTUMNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5552048 0.75 S1PR1 (0.45) NOTUMCASP3SIRT2
SCHEMBL5548169 0.75 NOTUM (0.41) NOTUM
SCHEMBL5901769 0.75 NPC1 (0.46) NOTUMNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1435608 0.69 HPGDS (0.39) NPC1RAB9A
SCHEMBL3618137 0.69 CYP2A6 (0.39) CASP3SENP8SENP7SENP6

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 221 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
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-9949955-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2018-04-24 US claimed
US-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Ichnos Sciences SA (CH) 2016-11-24 US claimed
US-9439890-B2 Triazolone compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2016-09-13 US claimed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US claimed
EP-2187884-B1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMA (US) 2016-03-30 EP claimed
EP-2718284-B1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS SA (CH) 2015-11-18 EP claimed
US-20050261316-A1 A2B Adenosine receptor antagonists CV THERAPEUTICS, INC. 2005-11-24 US claimed
US-20050101778-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2005-05-12 US claimed
WO-2004106337-A1 XANTHINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-12-09 WO claimed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US claimed
CN-1434813-A Pyrrolidine derivatives cyclic AMP-specific phosphodiesterase inhibitors ICOS CONP (US) 2003-08-06 CN claimed
JP-2003519135-A 2003-06-17 JP claimed
EP-1242400-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2002-09-25 EP claimed
WO-2001047905-A1 PYRROLIDINE DERIVATIVES AS CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2001-07-05 WO claimed
EP-0422843-B1 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1995-02-15 EP claimed
EP-0422843-A2 6-0 Methylerythromycin A oxime derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-04-17 EP 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 (5 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-20160339000-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS PTGES, PTGS1, PTGIS NOTUM 666/4885CASP3 4082/4885NPC1 1186/4885
US-20050101778-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NOTUM 4451/4885CASP3 3449/4885NPC1 2702/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NOTUM 3850/4885CASP3 3988/4885NPC1 2057/4885
US-20050261316-A1 A2B Adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 NOTUM 3708/4885CASP3 4063/4885NPC1 2104/4885
US-20230278997-A1 BICYCLO[1.1.1]PENTANE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP1B1, CYP7A1 NOTUM 1768/4885CASP3 530/4885NPC1 143/4885

“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.