SCHEMBL31258390

SCHEMBL31258390

O=C(NCc1ccc(-c2cn[nH]c2)cc1)C1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
ROCK2 O75116 9/20 0.47
F10 P00742 1/20 0.46
CTSC P53634 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KIT P10721 1/20 0.44
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
ROCK1 Q13464 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL31258409 0.79 ROCK2 (0.52) BCL9CTNNB1ROCK2KITROCK1
SCHEMBL2450367 0.78 HTR2C (0.56) HTR2CALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL29542019 0.78 HTR2C (0.53) HTR2CALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL2444405 0.78 ALDH1A1 (0.70) HTR2CF10ALDH1A1SMN1; SMN2USP2
SCHEMBL4434645 0.78 ALDH1A1 (0.70) HTR2CF10ALDH1A1SMN1; SMN2USP2
SCHEMBL2447403 0.78 ALDH1A1 (0.73) HTR2CALDH1A1SMN1; SMN2
SCHEMBL24873100 0.78 REN (0.53) BCL9CTNNB1ROCK2
SCHEMBL31258387 0.78 REN (0.53) BCL9CTNNB1ROCK2
SCHEMBL5049861 0.76 ALDH1A1 (0.53) HTR2CROCK2F10ALDH1A1SMN1; SMN2
SCHEMBL6861732 0.75 HTR2C (0.62) HTR2CALDH1A1SMN1; SMN2USP2HPGD

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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 HTR2C 4431/4885BCL9 1/4885CTNNB1 15/4885

“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.