SCHEMBL23915355

SCHEMBL23915355

CCOc1ccc2[nH]ncc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ FGFR2 P21802 4/20 0.44
▸ NOS1 P29475 2/20 0.42
▸ FGFR1 P11362 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ AGPAT2 O15120 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL20534493 0.79 PTGER1 (0.48) NOS1IDO1
SCHEMBL23909116 0.75 FGFR2 (0.45) TSHRFGFR2NOS1FGFR1MAPT
SCHEMBL22967212 0.75 NOS1 (0.46) NOS1TRPA1IDO1ESR1ESR2
SCHEMBL15704604 0.73 TSHR (0.43) TSHRTRPA1
SCHEMBL24094124 0.73 NOS1 (0.41) TSHRNOS1TRPA1IDO1ESR1
SCHEMBL5425212 0.72 NOS1 (0.37) NOS1
SCHEMBL5416908 0.72 NOS1 (0.37) NOS1
SCHEMBL5416900 0.72 NOS1 (0.37) NOS1
SCHEMBL8047208 0.72 NOS1 (0.50) NOS1TRPA1IDO1ESR1ESR2
SCHEMBL14803988 0.71 NOS1 (0.46) NOS1TRPA1IDO1

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 TSHR 588/4885FGFR2 501/4885NOS1 839/4885

“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.

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