SCHEMBL31428841

SCHEMBL31428841

Cc1nc2cc(/C=C/C(=O)N3CCOCC3)ccc2s1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAOB P27338 1/20 0.53
TRPV1 Q8NER1 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
GPR183 P32249 1/20 0.49
ICAM1 P05362 2/20 0.47
ITGB2 P05107 1/20 0.47
ITGAL P20701 1/20 0.47
SELE P16581 1/20 0.47
APP P05067 1/20 0.45

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
SCHEMBL31428688 0.91 RAB9A (0.55) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31429114 0.85 RAB9A (0.54) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL26634041 0.78 ESR1 (0.63) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31428564 0.78 ESR1 (0.63) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31428937 0.77 HPGD (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL30163508 0.77 RAB9A (0.57) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL30163494 0.76 RAB9A (0.54) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL30163490 0.74 RAB9A (0.42) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31428852 0.74 RAB9A (0.42) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL24976103 0.72 SMN1; SMN2 (0.52) RAB9ANPC1ALDH1A1HPGDKDM4E

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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2025-03-20 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-20250091994-A1 RAS/RAF BINDING INHIBITOR COMPOUND BRAF, RAF1, NRAS RAB9A 67/4885NPC1 3237/4885TDP1 3630/4885

“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.