SCHEMBL4127773

SCHEMBL4127773

CO/N=C/c1ccsc1C=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL4127776 1.00 NPC1 (0.36) NPC1PKMRAB9AATML3MBTL1
SCHEMBL12213147 0.76 MEN1 (0.43) NPC1PKMRAB9AATML3MBTL1
SCHEMBL225281 0.74
SCHEMBL11350874 0.71 CYP2A6 (0.33) ALDH1A1CYP2A6
SCHEMBL4114894 0.70 SRC (0.35) SRCALDH1A1
SCHEMBL4114897 0.70 SRC (0.35) SRCALDH1A1
SCHEMBL18826036 0.69 CYP2A6 (0.33) NPC1PKMRAB9AATML3MBTL1
SCHEMBL18826037 0.69 CYP2A6 (0.33) NPC1PKMRAB9AATML3MBTL1
SCHEMBL2720004 0.69
Alcohol SCHEMBL28340147 0.68 CYP2A6 (0.36) NPC1PKMRAB9AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 NPC1 643/4885PKM 2715/4885RAB9A 2656/4885

“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.