SCHEMBL4124996

SCHEMBL4124996

CC=Cc1c(NC(C)=O)ccc2c(C)noc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.39
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA4 P22748 2/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
TOP2A P11388 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL4124994 1.00 EDNRA (0.39) EDNRACA1CA2CA7CA4
SCHEMBL4126548 1.00 EDNRA (0.39) EDNRACA1CA2CA7CA4
SCHEMBL13596080 0.82 CYP1A2 (0.33) EDNRA
SCHEMBL4120392 0.76 ERN1 (0.38) ALDH1A1HPGDKDM4EMAPT
SCHEMBL4120387 0.76 ERN1 (0.38) ALDH1A1HPGDKDM4EMAPT
SCHEMBL4127537 0.76 ERN1 (0.38) ALDH1A1HPGDKDM4EMAPT
SCHEMBL4133383 0.74 ALDH1A1 (0.40) EDNRACA1CA2CA7CA4
SCHEMBL4114987 0.73 NOS2 (0.31)
SCHEMBL4114997 0.73 NOS2 (0.31)
SCHEMBL4113060 0.73 APLNR (0.30)

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-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 EDNRA 1138/4885CA1 1428/4885CA2 1612/4885

“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.