SCHEMBL31428678

SCHEMBL31428678

O=C(c1ccc2nccc(-c3ccnc4ccccc34)c2c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 2/20 0.47
BMPR1B O00238 1/20 0.47
PDGFRB P09619 1/20 0.47
KIT P10721 1/20 0.47
PDGFRA P16234 1/20 0.47
BMPR1A P36894 1/20 0.47
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
ACVRL1 P37023 1/20 0.47
ACVR1 Q04771 1/20 0.47
CNR2 P34972 1/20 0.47
GRM5 P41594 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 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
SCHEMBL31429016 0.91 HTR2C (0.54) HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL31428601 0.91 KDM4E (0.47) HPGDCNR1ALDH1A1LMNATSHR
SCHEMBL31429044 0.89 HPGD (0.50) HPGDCNR1ALDH1A1LMNATSHR
SCHEMBL31428449 0.89 HPGD (0.53) HPGDCNR1ALDH1A1LMNATSHR
SCHEMBL31428870 0.87 HPGD (0.51) HPGDCNR1ALDH1A1LMNATSHR
SCHEMBL31428588 0.85 HPGD (0.52) HPGDCNR1ALDH1A1LMNATSHR
SCHEMBL31429043 0.85 NTRK1 (0.49) HPGDPKMSMN1; SMN2
SCHEMBL31428741 0.85 CCNC (0.50) HPGDLMNATSHRBMPR1BPDGFRB
SCHEMBL31428744 0.84 HPGD (0.53) HPGDSMN1; SMN2
SCHEMBL20732826 0.84 RIPK1 (0.50) HPGDPKMSMN1; 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 HPGD 4233/4885CNR1 2258/4885ALDH1A1 2352/4885

“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.