SCHEMBL31428463

SCHEMBL31428463

O=C(c1ccnc2ccccc12)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TSHR P16473 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 3/20 0.57
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.50
MOK Q9UQ07 1/20 0.50
CCR3 P51677 1/20 0.50
FAP Q12884 1/20 0.49

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
SCHEMBL27306048 0.83 ALDH1A1 (0.61) ALDH1A1TSHRLMNAKDM4EHPGD
SCHEMBL23363547 0.83 ADRB2 (0.55) ALDH1A1TSHRLMNAKMT2ACCR3
SCHEMBL31428798 0.82 CCR3 (0.52) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27497996 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLMNAKDM4EHPGD
SCHEMBL27659662 0.81 LMNA (0.56) ALDH1A1TSHRLMNAKDM4EHPGD
SCHEMBL1496308 0.80 HTT (0.63) ALDH1A1TSHRLMNAKDM4EHPGD
SCHEMBL31395273 0.80 KMT2A (0.60) USP2KMT2ATDP1CCR3
SCHEMBL31428678 0.78 HPGD (0.51) ALDH1A1TSHRLMNAKDM4EHPGD
SCHEMBL34464913 0.78 CDK1 (0.48) ALDH1A1TSHRLMNAKDM4EHSD17B10
SCHEMBL31351097 0.78 MAOB (0.57) ALDH1A1TSHRLMNAKDM4EHPGD

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 ALDH1A1 2352/4885TSHR 1389/4885LMNA 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.