SCHEMBL2617364

SCHEMBL2617364

C=COc1ccc(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 5/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL27584712 0.80 SMN1; SMN2 (0.43) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL1436760 0.79 TTR (0.47) HPGDTP53KMT2ATSHRTDP1
SCHEMBL5832081 0.79 MAPK1 (0.58) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL9545358 0.76 HPGD (0.57) HPGDSMN1; SMN2NPC1RAB9ATP53
SCHEMBL130149 0.74 APP (0.43) SMN1; SMN2ALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL858370 0.72 ALDH1A1 (0.51) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL30424732 0.72 ALDH1A1 (0.51) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11802340 0.72 KDM4E (0.43) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1293550 0.72 CSNK2A1 (0.56) SMN1; SMN2KMT2AMEN1TSHRALDH1A1
SCHEMBL31400076 0.72 KMT2A (0.43) HPGDSMN1; SMN2NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
EP-3063141-B1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARM INC (US) 2018-02-28 EP disclosed
EP-2794563-B1 HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2017-02-22 EP disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2016-09-29 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-9255090-B2 Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-09 US disclosed
US-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-20080255182-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-10-16 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197640-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070197481-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-08-23 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 US disclosed
WO-2007056056-A2 MITOTIC KINESIN INHIBITORS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO 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 (7 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-20150252036-A1 Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators PTGDR, PTGER1, PTGDR2 HPGD 24/4885SMN1; SMN2 3824/4885NPC1 2085/4885
US-20070197640-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885SMN1; SMN2 1149/4885NPC1 835/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HPGD 613/4885SMN1; SMN2 1269/4885NPC1 74/4885
US-20080255182-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885SMN1; SMN2 1149/4885NPC1 835/4885
US-20160280643-A1 N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, UGCG, GBA2 HPGD 314/4885SMN1; SMN2 3055/4885NPC1 86/4885
US-20070197481-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885SMN1; SMN2 1149/4885NPC1 835/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HPGD 2681/4885SMN1; SMN2 1149/4885NPC1 835/4885

“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.