SCHEMBL31428671

SCHEMBL31428671

O=Cc1cc(-c2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
PLAUR Q03405 1/20 0.48
ERN1 O75460 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
GRM2 Q14416 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CNR1 P21554 1/20 0.44
JAK2 O60674 2/20 0.44
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 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
SCHEMBL31428711 0.95 GRM2 (0.51) HPGDPLAURERN1ALDH1A1LMNA
SCHEMBL31428426 0.89 CCNC (0.54) HPGDGRM2
SCHEMBL24977242 0.89 CCNC (0.54) HPGDGRM2
SCHEMBL31428481 0.89 ERN1 (0.52) HPGDPLAURERN1ALDH1A1LMNA
SCHEMBL31428554 0.89 HPGD (0.44) HPGDPLAURERN1ALDH1A1LMNA
SCHEMBL24976120 0.88 MAPT (0.57) HPGDERN1ALDH1A1TSHRCYP2C9
SCHEMBL31428817 0.88 MAPT (0.57) HPGDERN1ALDH1A1TSHRCYP2C9
SCHEMBL24977053 0.87 ACACB (0.44) HPGDALDH1A1
SCHEMBL31428743 0.87 ACACB (0.44) HPGDALDH1A1
SCHEMBL31428712 0.87 GRM2 (0.49) HPGDERN1ALDH1A1GRM2CYP1A2

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 HPGD 4233/4885PLAUR 3817/4885ERN1 1375/4885

“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.