SCHEMBL31451663

SCHEMBL31451663

COc1ccc2[nH]c3c(c2c1)C(=O)NCC3

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.85
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
HPGD P15428 2/20 0.64
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
ALOX15 P16050 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
NFKB1 P19838 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
PARP1 P09874 1/20 0.51
PDGFRB P09619 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL31451416 0.89 KDR (0.68) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL7977857 0.81 ALDH1A1 (0.72) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL6925320 0.79 KDR (0.70) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL797894 0.78 KDR (0.54) KDRALDH1A1KDM4EMAPTLMNA
SCHEMBL34463671 0.78 KDM4E (1.00) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL34463669 0.78 KDM4E (1.00) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL3033917 0.78 KDM4E (1.00) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL1286 0.74 KDM4E (0.58) KDRALDH1A1KDM4EHPGDCYP1A2
SCHEMBL10154875 0.73 KDR (0.70) KDRALDH1A1KDM4EMAPTHPGD
SCHEMBL6236714 0.73 KDM4E (0.85) KDRALDH1A1KDM4EMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC (KR) 2025-12-04 US disclosed
CN-119654323-A External nucleotide pyrophosphatase-phosphodiesterase-1 inhibitor and pharmaceutical composition containing the same 瑞嘉化学生物科学股份有限公司 2025-03-18 CN 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-20250367173-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP1, ENPP3, SMPD1 KDR 2912/4885ALDH1A1 1210/4885KDM4E 2886/4885

“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.