SCHEMBL31428855

SCHEMBL31428855

O=Cc1ccc2cc(CN3CCS(=O)(=O)CC3)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.43
GRM2 Q14416 1/20 0.43
CHKA P35790 2/20 0.39
JAK1 P23458 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 3/20 0.37
ACP1 P24666 1/20 0.36
LTA4H P09960 1/20 0.36
JAK2 O60674 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL24975806 0.90 CHKA (0.38) KMT2AMEN1LMNAGRM2CHKA
SCHEMBL24977045 0.83 HRH3 (0.45) LMNAGRM2NPC1ALDH1A1RAB9A
SCHEMBL31428722 0.83 HRH3 (0.45) LMNAGRM2NPC1ALDH1A1RAB9A
SCHEMBL30163474 0.82 KMT2A (0.56) KMT2AMEN1LMNAGRM2CHKA
SCHEMBL31428496 0.77 HRH3 (0.38) KMT2AMEN1CHKAALDH1A1
SCHEMBL24975434 0.77 HRH3 (0.38) KMT2AMEN1GRM2CHKAALDH1A1
SCHEMBL31429049 0.76 CHKA (0.65) KMT2AMEN1LMNACHKACYP1A2
SCHEMBL31428690 0.73 SCN9A (0.44) KMT2AMEN1LMNANPC1ALDH1A1
SCHEMBL31428689 0.73 SCN9A (0.44) KMT2AMEN1LMNANPC1ALDH1A1
SCHEMBL24977048 0.71 CCR1 (0.42) KMT2AMEN1LMNACYP1A2CYP2C19

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 KMT2A 2837/4885MEN1 1712/4885LMNA 4297/4885

“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.