SCHEMBL31428890

SCHEMBL31428890

C[C@@H]1CC(N(Cc2ccc3nc(C=O)ccc3c2)C(=O)OC(C)(C)C)C[C@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 3/20 0.34
KDM1A O60341 2/20 0.33
CETP P11597 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSD11B1 P28845 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 2/20 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
SCHEMBL31429027 1.00 F2R (0.34) F2RKDM1ACETPHDAC8HDAC6
SCHEMBL24977051 0.94 CETP (0.33) F2RKDM1ACETPHDAC8HDAC6
SCHEMBL31428845 0.88 KCNH2 (0.36) KDM1ACETPHDAC8HDAC6HSD11B1
SCHEMBL31429023 0.88 KCNH2 (0.36) KDM1ACETPHDAC8HDAC6HSD11B1
SCHEMBL24977046 0.88 KCNH2 (0.36) KDM1ACETPHDAC8HDAC6HSD11B1
SCHEMBL31428473 0.83 MAPT (0.37) HSD11B1KDM4EL3MBTL1SLC6A2SLC6A4
SCHEMBL31428540 0.81 HTR2A (0.40) F2RHSD11B1KDM4ENPC1RAB9A
SCHEMBL31429024 0.80 ALDH1A1 (0.37) HSD11B1MAPTALDH1A1
SCHEMBL31428921 0.80 ALDH1A1 (0.37) HSD11B1MAPTALDH1A1
SCHEMBL24976089 0.79 HSD11B1 (0.36) KDM1AHDAC8HDAC6HSD11B1KDM4E

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 F2R 1361/4885KDM1A 3202/4885CETP 4024/4885

“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.