SCHEMBL31429016

SCHEMBL31429016

O=C(c1ccc2nccc(-c3cccc4ccccc34)c2c1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.54
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.48
RIPK1 Q13546 1/20 0.45
PLAUR Q03405 1/20 0.45
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL31428678 0.91 HPGD (0.51) HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL31428818 0.89 RIPK1 (0.48) HTR2CHPGDRIPK1MKNK1MKNK2
SCHEMBL31428449 0.87 HPGD (0.53) HPGDPLAURALDH1A1
SCHEMBL31429044 0.85 HPGD (0.50) HPGDRIPK1PLAURALDH1A1
SCHEMBL31428699 0.85 HTR2C (0.53) HTR2CHPGDKDM4EPLAURALDH1A1
SCHEMBL31428741 0.85 CCNC (0.50) HPGDRIPK1MKNK1MKNK2MEN1
SCHEMBL31428601 0.85 KDM4E (0.47) HPGDKDM4EALDH1A1
SCHEMBL31428588 0.84 HPGD (0.52) HPGDMEN1ALDH1A1KMT2A
SCHEMBL31428870 0.83 HPGD (0.51) HPGDRIPK1MKNK1MKNK2MEN1
SCHEMBL31429043 0.81 NTRK1 (0.49) HPGDRIPK1SMN1; SMN2

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 4858/4885HPGD 4233/4885KDM4E 2663/4885

“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.