SCHEMBL31428660

SCHEMBL31428660

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
HPGD P15428 5/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
BRD4 O60885 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.44
PHGDH O43175 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ERN1 O75460 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
SCHEMBL24975643 1.00 HSP90AA1 (0.48) HSP90AA1HSP90AB1HPGDKDM4EALDH1A1
SCHEMBL24975811 0.88 HPGD (0.52) HSP90AA1HSP90AB1HPGDKDM4EALDH1A1
SCHEMBL31428645 0.79 HPGD (0.57) HSP90AA1HSP90AB1HPGDKDM4EALDH1A1
SCHEMBL31428677 0.79 HTR2C (0.53) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL31428895 0.78 KMT2A (0.42) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL22353354 0.77 HPGD (0.56) HSP90AA1HSP90AB1HPGDKDM4EALDH1A1
SCHEMBL16533303 0.74 METAP2 (0.49) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL31471661 0.74 SERPINE1 (0.75) HSP90AA1HSP90AB1HPGDKDM4ETSHR
SCHEMBL16302094 0.72 HPGD (0.62) HSP90AA1HSP90AB1HPGDKDM4EALDH1A1
SCHEMBL20260141 0.72 HPGD (0.58) HSP90AA1HPGDKDM4EALDH1A1TSHR

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 HSP90AA1 1521/4885HSP90AB1 845/4885HPGD 4233/4885

“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.