SCHEMBL31428516

SCHEMBL31428516

Cc1ccc2cc(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 2/20 0.46
KDM2B Q8NHM5 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL31428515 0.86 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31428571 0.79 HPGD (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31428951 0.76 HPGD (0.53) RAB9ANPC1ALDH1A1
SCHEMBL24976088 0.76 NPC1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9KDM2B
SCHEMBL31428645 0.75 HPGD (0.57) TSHRGLAALDH1A1KMT2AHSP90AA1
SCHEMBL30163530 0.75 SCN9A (0.54) TSHRKDM2B
SCHEMBL8867058 0.75 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL31428578 0.75 L3MBTL3 (0.59) ALDH1A1KMT2AL3MBTL3L3MBTL1MEN1
SCHEMBL31429017 0.74 MEN1 (0.51) CYP1A2KDM2BRAB9ANPC1ALDH1A1
SCHEMBL31428637 0.74 HPGD (0.47) CYP1A2TSHRKDM2BRAB9ANPC1

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 CYP1A2 3982/4885CYP3A4 4009/4885CYP2D6 3589/4885

“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.