SCHEMBL31428532

SCHEMBL31428532

O=Cc1ccc2cc(/C=C/C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 8/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAOB P27338 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
TRPV1 Q8NER1 2/20 0.51
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GPR183 P32249 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL31429046 0.85 GPR183 (0.42) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL30163508 0.85 RAB9A (0.57) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31428739 0.80 CCNC (0.66) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL31428758 0.78 PKM (0.50) RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL30163494 0.77 RAB9A (0.54) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL12674875 0.77 ERN1 (0.61) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL7673457 0.76 ITGB2 (0.63) RAB9ANPC1TDP1ALDH1A1HPGD
SCHEMBL24977050 0.75 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL31428972 0.75 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL31429114 0.75 RAB9A (0.54) RAB9ANPC1TDP1ALDH1A1HPGD

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.