SCHEMBL10150419

SCHEMBL10150419

COc1ccccc1-c1nc2c(c(=O)[nH]1)CCC2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TNKS O95271 6/20 0.57
TNKS2 Q9H2K2 6/20 0.57
PARP10 Q53GL7 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
SPR P35270 2/20 0.50
BRD4 O60885 1/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
DCTPP1 Q9H773 1/20 0.46
GUSB P08236 1/20 0.45
TP53 P04637 1/20 0.45
PARP1 P09874 1/20 0.45
WNT3A P56704 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
SCHEMBL4148644 0.97 KDM4E (0.66) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL129916 0.82 TNKS (0.52) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL129507 0.82 FGFR1 (0.49) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL171064 0.80 FGFR1 (0.47) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10150421 0.80 FGFR1 (0.47) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL1034183 0.79 HPGD (0.62) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL13851577 0.78 HPGD (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL13851590 0.77 TNKS2 (0.45) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL1035972 0.77 HPGD (0.71) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL1036534 0.77 HPGD (0.71) KDM4EALDH1A1HPGDTSHRHSD17B10

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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 KDM4E 2477/4885ALDH1A1 3086/4885HPGD 1444/4885

“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.