SCHEMBL148109

SCHEMBL148109

[CH2]Cc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
DAO P14920 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DBH P09172 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
AGXT P21549 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
SCHEMBL146087 0.82 DAO (0.37) IDO1DAO
SCHEMBL16954216 0.82 IDO1 (0.33) IDO1
SCHEMBL16953447 0.82 ACHE (0.36) IDO1MEN1KMT2A
SCHEMBL153038 0.78 IDO1 (0.41) IDO1DAOTAAR1
SCHEMBL4630749 0.77 IDO1 (0.42) IDO1CA12CA1CA9DAO
SCHEMBL16958198 0.77 CYP4F2 (0.41) IDO1TAAR1
SCHEMBL16950313 0.77 GRM5 (0.35)
SCHEMBL16951769 0.77 GABRA1 (0.33) IDO1MEN1KMT2A
SCHEMBL900781 0.73 PTPRZ1 (0.36)
SCHEMBL12474330 0.73 CYP4F2 (0.35) IDO1DAOMEN1KMT2A

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
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN claimed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP claimed
EP-2629777-B1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-12-19 EP claimed
EP-2532663-B1 Naphthalenetetracarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2016-03-16 EP claimed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US claimed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN claimed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US claimed
EP-2532663-A1 Naphthalenecarboxylic acid derivatives and their use as semiconductors BASF SE (DE) 2012-12-12 EP claimed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN claimed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP claimed
WO-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7411073-B2 Selective non-steroidal glucocorticoid receptor modulators MERCK & CO., INC. (US) 2008-08-12 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism MERCK SHARP & DOHME CORP. 2006-04-06 US 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885CA12 1023/4885CA1 2199/4885
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 IDO1 117/4885CA12 2992/4885CA1 2007/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885CA12 1023/4885CA1 2199/4885
US-20060074120-A1 cyclopent[f]pyrazole derivatives; antiinflammatory agent; autoimmune diseases; side effect reduction, advantages over steroidal glucocorticoid ligands with respect to undesireable side-effects, efficacy, toxicity or metabolism NR3C1, NR3C2, NR5A1 IDO1 1481/4885CA12 2220/4885CA1 1826/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 IDO1 2892/4885CA12 1023/4885CA1 2199/4885

“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.