SCHEMBL23355358

SCHEMBL23355358

O=C(Nc1ccc(Oc2ccn(C(=O)O)n2)cc1F)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TACR3 P29371 1/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ FAAH O00519 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MGAT2 Q10469 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PPIA P62937 1/20 0.38
▸ MET P08581 1/20 0.38
▸ F10 P00742 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
SCHEMBL21612828 0.88 NPC1 (0.43) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL30203055 0.82 ELOVL1 (0.41) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL30203116 0.81 NPC1 (0.47) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL23368156 0.81 NPC1 (0.47) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL30203207 0.80 NPC1 (0.41) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL28983497 0.79 NPC1 (0.43) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL4328487 0.78 NPC1 (0.45) NPC1RAB9ATACR3MGLLPOLB
SCHEMBL27668608 0.77 NPC1 (0.44) NPC1RAB9ATACR3MGLLPOLB
SCHEMBL2635340 0.76 RAB9A (0.54) NPC1RAB9AHRH3TACR3MGLL
SCHEMBL1727470 0.76 NPC1 (0.47) NPC1RAB9ATACR3MGLLPOLB

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
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 — — US disclosed
EP-3822263-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-05-19 — — EP 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 667/4885HRH3 710/4885

“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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