SCHEMBL9304737

SCHEMBL9304737

Nc1ccccc1CCCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 2/20 0.40
FDPS P14324 1/20 0.38
TAAR1 Q96RJ0 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PNMT P11086 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
AR P10275 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7476524 0.86 SIGMAR1 (0.42) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL293496 0.84 SIGMAR1 (0.41) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL234864 0.84 CYP3A4 (0.53) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL8830047 0.82 SIGMAR1 (0.40) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
Propionic Acid SCHEMBL28208685 0.82 ALDH1A1 (0.37) CYP3A4SMN1; SMN2SIGMAR1TSHRFDPS
SCHEMBL11026037 0.81 CD44 (0.39) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL4574904 0.81 TAAR1 (0.40) TSHRTAAR1ALDH1A1PNMTMAPT
SCHEMBL467666 0.79 CYP3A4 (0.37) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL23159850 0.79 ALOX15 (0.47) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL293842 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
CN-1089763-C Indolyl-pyrrolylidene methyl pyrrole derivatives and process for preparing the same PHARMACIA & UPJOHN SPA (IT) 2002-08-28 CN disclosed
CN-1222911-A Indolyl-pyrrolydenemethylpyrrole derivatives and process for their preparation PHARMACIA & UPJOHN SPA (IT) 1999-07-14 CN disclosed
US-5366975-A Pesticides THE GENERAL HOSPITAL CORPORATION (US) 1994-11-22 US disclosed
WO-1993000811-A1 INVERTEBRATE PHENYLETHANOLAMINE TRANSPORTER AND THE USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 1993-01-21 WO disclosed
US-4207233-A Azo dyes containing a thiazole component BASF AKTIENGESELLSCHAFT (DE) 1980-06-10 US disclosed
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4088766-A PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-05-09 US disclosed
US-4001256-A PROSTAGLANDIN PRODUCTION IN MAMMALS THE UPJOHN COMPANY (US) 1977-01-04 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 (1 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-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, NQO1, KEAP1 ALOX15 313/4885CYP3A4 106/4885CASP1 2882/4885

“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.