SCHEMBL32664256

SCHEMBL32664256

CNC(=O)c1sc2cc(O)ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.44
▸ ESR1 P03372 8/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ F10 P00742 2/20 0.39
▸ ICAM1 P05362 1/20 0.39
▸ SELE P16581 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LIMK1 P53667 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL10949281 0.81 MAPK1 (0.45) GPR35ESR1ICAM1SELECES2
SCHEMBL5244202 0.78 ESR1 (0.48) ESR1
SCHEMBL5196415 0.72 ESR1 (0.43) ESR1GAA
SCHEMBL5242224 0.72 ESR1 (0.47) ESR1
SCHEMBL14566790 0.71 ESR1 (0.41) ESR1
SCHEMBL29121145 0.70 HDAC3 (0.45) NPC1RAB9ALMNAGAAMAPT
SCHEMBL9757077 0.69 GPR35 (0.65) GPR35ICAM1SELEBCL2L1MCL1
SCHEMBL9756981 0.69 MAPK1 (0.53) GPR35ICAM1SELELMNAGAA
SCHEMBL121901 0.68 MCL1 (0.57) GPR35NPC1RAB9AF10LMNA
SCHEMBL8637183 0.67 ESR1 (0.60) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-22 — — 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-20260022125-A1 PYRROLOPYRIDAZINE VEGFR INHIBITORS FLT1, KDR, FLT4 GPR35 725/4885ESR1 795/4885NPC1 885/4885

“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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