SCHEMBL31428677

SCHEMBL31428677

Cc1ccc2cc(C(=O)N3CCOCC3)cc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
MAPK10 P53779 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PLAUR Q03405 2/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NR1I2 O75469 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL31429075 0.86 HTR2C (0.49) HTR2CALDH1A1HPGDKDM4EPLAUR
SCHEMBL24977245 0.86 HTR2C (0.49) HTR2CALDH1A1HPGDKDM4EPLAUR
SCHEMBL31429035 0.85 HTR2C (0.53) HTR2CALDH1A1HPGDKDM4EPLAUR
SCHEMBL24975811 0.80 HPGD (0.52) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL24975643 0.79 HSP90AA1 (0.48) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL31428660 0.79 HSP90AA1 (0.48) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL31428738 0.78 HTR2C (0.40) HTR2CALDH1A1HPGDKDM4EPLAUR
SCHEMBL31428827 0.77 HTR2C (0.56) HTR2CHPGDKDM4EFNTAFNTB
SCHEMBL31428699 0.77 HTR2C (0.53) HTR2CALDH1A1HPGDKDM4ETSHR
SCHEMBL30163469 0.74 HTR2C (0.54) HTR2CALDH1A1HPGDKDM4ETSHR

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 HTR2C 4858/4885MAPK10 402/4885ALDH1A1 2352/4885

“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.