SCHEMBL30203151

SCHEMBL30203151

O=C(Nc1cc(Cl)c(Oc2cc[nH]n2)cc1F)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CASP3 P42574 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ MGLL Q99685 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ROCK2 O75116 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
SCHEMBL23355367 0.83 KDM4E (0.34) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL30203116 0.82 NPC1 (0.47) NPC1RAB9ACASP3POLBMGLL
SCHEMBL23368156 0.82 NPC1 (0.47) NPC1RAB9ACASP3POLBMGLL
SCHEMBL12992502 0.78 NPC1 (0.44) NPC1RAB9ACASP3POLBP2RX7
SCHEMBL23355405 0.77 SMN1; SMN2 (0.39) NPC1RAB9AMGLLSMN1; SMN2SCD
SCHEMBL9427405 0.76 NPC1 (0.49) NPC1RAB9ACASP3POLBP2RX7
SCHEMBL30203299 0.75 SMN1; SMN2 (0.38) NPC1RAB9ASMN1; SMN2SCD
SCHEMBL28537445 0.75 TRPM8 (0.38) NPC1RAB9A
SCHEMBL8083786 0.75 NPC1 (0.52) NPC1RAB9ACASP3POLBP2RX7
SCHEMBL31569325 0.74 NPC1 (0.61) NPC1RAB9ACASP3POLBP2RX7

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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 — — 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-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 NPC1 2118/4885RAB9A 667/4885CASP3 2386/4885

“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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