SCHEMBL30203116

SCHEMBL30203116

O=C(Nc1ccc(Oc2cc[nH]n2)cc1F)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TACR3 P29371 1/20 0.42
▸ MGLL Q99685 2/20 0.41
▸ MAOB P27338 1/20 0.41
▸ CASP3 P42574 4/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ PPIA P62937 1/20 0.39
▸ MET P08581 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ MGAT2 Q10469 1/20 0.39

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
SCHEMBL23368156 1.00 NPC1 (0.47) NPC1RAB9ATP53MAPTPOLB
SCHEMBL30203151 0.82 NPC1 (0.42) NPC1RAB9APOLBMGLLMAOB
SCHEMBL23355336 0.81 KDR (0.38) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL23355358 0.81 NPC1 (0.45) NPC1RAB9ATP53MAPTPOLB
SCHEMBL4328487 0.81 NPC1 (0.45) NPC1RAB9ATP53MAPTPOLB
SCHEMBL2635340 0.78 RAB9A (0.54) NPC1RAB9ATP53MAPTPOLB
SCHEMBL12892598 0.78 CDK8 (0.54) NPC1RAB9ATP53MAPT
SCHEMBL1727470 0.78 NPC1 (0.47) NPC1RAB9ATP53MAPTPOLB
SCHEMBL12992197 0.78 MAPK14 (0.52) NPC1RAB9ATP53MAPTPOLB
SCHEMBL14050311 0.78 NPC1 (0.49) NPC1RAB9ATP53MAPTPOLB

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 667/4885TP53 79/4885

“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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