SCHEMBL23915491

SCHEMBL23915491

CCOc1cc2[nH]ncc2cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
AXL P30530 1/20 0.47
FGFR2 P21802 4/20 0.47
FGFR1 P11362 3/20 0.47
FGFR3 P22607 1/20 0.46
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
APAF1 O14727 1/20 0.43
AGPAT2 O15120 1/20 0.42
NOS1 P29475 2/20 0.42
DYRK1A Q13627 1/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL23915494 0.94 TRPA1 (0.49) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL24358709 0.83 AXL (0.48) TRPA1AXLALDH1A1NOS1DYRK1A
SCHEMBL15536254 0.81 CHEK1 (0.58) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL28936194 0.81 AXL (0.69) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL24358639 0.81 FGFR2 (0.56) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL23914618 0.77 AXL (0.59) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL18398921 0.77 MKNK1 (0.52) TRPA1AXLNOS1DYRK1ACHEK1
SCHEMBL20055955 0.77 TRPA1 (0.49) TRPA1AXLFGFR2FGFR1FGFR3
SCHEMBL30932755 0.76 AURKA (0.39) TRPA1AXLFGFR1NOS1DYRK1A
SCHEMBL30932682 0.76 AXL (0.38) TRPA1AXLNOS1DYRK1ACHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 TRPA1 656/4885AXL 4402/4885FGFR2 501/4885

“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.