SCHEMBL26237948

SCHEMBL26237948

COc1ccc2c(C(C)(C)[n+]3cnc(C(C)(C)C)c4cc5c(cc43)OCO5)ncnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.38
▸ BRS3 P32247 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CLK4 Q9HAZ1 3/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ CYP2C19 P33261 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK1 P49759 1/20 0.35

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
SCHEMBL12775275 0.76 EGFR (0.51) HTTEGFRTRPA1MAPT
SCHEMBL25670573 0.71 PDE5A (0.45) PDE5AALDH1A1LMNAMEN1KMT2A
SCHEMBL26237946 0.69 PDE5A (0.32) PDE5AALDH1A1MEN1KMT2AEGFR
SCHEMBL12775544 0.66 MAPT (0.54) LMNAEGFRKDM4EMAPT
SCHEMBL25671081 0.64 CAMKK1 (0.44) PDE5AALDH1A1LMNAMEN1KMT2A
SCHEMBL24067371 0.63 MAPK7 (0.41) LMNACYP1A2CYP3A4CYP2C9USP2
SCHEMBL25670586 0.63 KMT2A (0.40) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL24067380 0.61 MAPT (0.43) ALDH1A1LMNAMEN1KMT2ACYP2C9
SCHEMBL25670577 0.61 PDE5A (0.41) PDE5AHTTMEN1KMT2ACYP1A2
SCHEMBL13757426 0.59 TRPA1 (0.56) ALDH1A1NPSR1MEN1KMT2AEGFR

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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — 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-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885BRS3 3890/4885ALDH1A1 3233/4885

“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.

Send feedback