SCHEMBL3983596

SCHEMBL3983596

Clc1cc(Br)cc(CBr)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
IDO1 P14902 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30

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
SCHEMBL29999249 1.00 TSHR (0.40) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL1500773 0.89 TSHR (0.50) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL625710 0.84 TSHR (0.41) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL27798832 0.81 IDO1 (0.37) TSHRIDO1L3MBTL1
SCHEMBL642402 0.81 IDO1 (0.40) TSHRIDO1CYP3A4TRPA1ALDH1A1
SCHEMBL400236 0.81 IDO1 (0.46) TSHRIDO1CYP3A4TRPA1ALDH1A1
SCHEMBL114694 0.81
SCHEMBL28894230 0.80 TSHR (0.40) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL2732843 0.78 ACHE (0.39) TSHRIDO1L3MBTL1TP53CYP3A4
SCHEMBL1363469 0.78 PNMT (0.46) TSHRIDO1L3MBTL1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059185-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-02-20 US disclosed
EP-4448522-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-10-23 EP disclosed
US-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC 2024-05-16 US disclosed
EP-4288442-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF Faxian Therapeutics, LLC (US) 2023-12-13 EP disclosed
WO-2023110958-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-06-22 WO disclosed
WO-2022170198-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF FAXIAN THERAPEUTICS, LLC (US) 2022-08-11 WO disclosed
CN-108440515-A Substituted benzofuranyl and benzoxazole based compound and application thereof 卡尔约药物治疗公司 2018-08-24 CN disclosed
CN-105492437-B Substituted benzofuranyl and benzoxazolyl compounds and uses thereof 卡尔约药物治疗公司 2018-05-11 CN disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US disclosed
EP-1603880-A1 QUINOLINONE/BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-12-14 EP disclosed
US-20050261308-A1 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC 2005-11-24 US disclosed
US-6943169-B2 Quinolinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2005-09-13 US disclosed
WO-2004080969-A1 QUINOLINONE / BENZOXAZINONE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-09-23 WO disclosed
US-20040186092-A1 Quinolinone derivaties and uses thereof ROCHE PALO ALTO LLC 2004-09-23 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 (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-20240158412-A1 UBIQUITIN-SPECIFIC PROTEASE 7 (USP7) INHIBITORS AND USES THEREOF USP7, USP28, USP1 TSHR 4303/4885IDO1 1841/4885L3MBTL1 355/4885
US-20040186092-A1 Quinolinone derivaties and uses thereof NQO2, UGT1A8, UGT1A1 TSHR 2498/4885IDO1 1120/4885L3MBTL1 4557/4885
US-20250059185-A1 BICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, LIPC, PNLIP TSHR 3993/4885IDO1 2862/4885L3MBTL1 1120/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 TSHR 4211/4885IDO1 2441/4885L3MBTL1 2065/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 TSHR 3913/4885IDO1 3885/4885L3MBTL1 1995/4885
US-20050261308-A1 Quinolinone derivatives and uses thereof RECQL, NQO2, QRFPR TSHR 1257/4885IDO1 1518/4885L3MBTL1 4043/4885

“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.