SCHEMBL5172196

SCHEMBL5172196

C[C](C)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL29466485 0.79 NPC1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL16960567 0.79 ALDH1A1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL3445603 0.79 NPC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL166193 0.79 NPC1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31583030 0.79 NPC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL23978028 0.79 NPC1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28879856 0.79 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL1548711 0.78 NPC1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2GAA
SCHEMBL16962049 0.77 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL2359084 0.77 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-103917522-B Process for producing N- (hetero) arylazoles 高砂香料工业株式会社 2016-06-15 CN disclosed
US-9233922-B2 Process for producing N-(hetero)arylazoles TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-01-12 US disclosed
EP-2736881-B1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO PERFUMERY CO LTD (JP) 2015-10-07 EP disclosed
US-20140371461-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-12-18 US disclosed
CN-103917522-A Process for producing N- (hetero) arylazoles TAKASAGO PERFUMERY CO LTD 2014-07-09 CN disclosed
EP-2736881-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES Takasago International Corporation (JP) 2014-06-04 EP disclosed
WO-2013032035-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-07 WO disclosed
EP-1778665-A1 PROCESS FOR THE PREPARATION OF 11-[(Z)-3-(DIMETHYLAMINO)PROPYLIDENE]-6,11-DIHYDRO-DIBENZ[B,E]OXEPIN-2-YL]ACETIC ACID Urquima S.A. (ES) 2007-05-02 EP disclosed
WO-2006010459-A1 PROCESS FOR THE PREPARATION OF 11-[(Z)-3-(DIMETHYLAMINO)PROPYLIDENE]-6,11-DIHYDRO-DIBENZ[B,E]OXEPIN-2-YL]-ACETIC ACID URQUIMA S.A. (ES) 2006-02-02 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 (3 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-20140371461-A1 PROCESS FOR PRODUCING N-(HETERO)ARYLAZOLES CYP3A4, HCN4, PPOX ALDH1A1 3167/4885NPC1 3396/4885RAB9A 4035/4885
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 ALDH1A1 151/4885NPC1 3627/4885RAB9A 1800/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ALDH1A1 151/4885NPC1 3627/4885RAB9A 1800/4885

“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.