SCHEMBL6733213

SCHEMBL6733213

O=C(NCc1ccc(Cl)cc1)c1cnc2c(CNCc3ccccc3)cc(CN3CCOCC3)cc2c1O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
KCNH2 Q12809 7/20 0.49
POLA1 P09884 2/20 0.49
RXFP1 Q9HBX9 1/20 0.44
TP53 P04637 1/20 0.43
CXCR3 P49682 1/20 0.42

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
SCHEMBL6726994 0.85 KCNH2 (0.55) ALDH1A1KCNH2POLA1RXFP1
SCHEMBL6200011 0.85 KCNH2 (0.53) ALDH1A1KCNH2POLA1RXFP1TP53
SCHEMBL6770778 0.85 KCNH2 (0.53) ALDH1A1KCNH2POLA1RXFP1
SCHEMBL6202555 0.84 RXFP1 (0.49) ALDH1A1KCNH2POLA1RXFP1TP53
SCHEMBL6606941 0.84 POLA1 (0.53) ALDH1A1KCNH2POLA1RXFP1
SCHEMBL6200655 0.83 KCNH2 (0.48) ALDH1A1KCNH2POLA1RXFP1TP53
SCHEMBL6724134 0.82 ALDH1A1 (0.46) ALDH1A1RXFP1TP53
SCHEMBL6201283 0.81 KCNH2 (0.54) ALDH1A1KCNH2POLA1RXFP1
SCHEMBL6727162 0.80 KCNH2 (0.49) ALDH1A1KCNH2POLA1RXFP1
SCHEMBL6692811 0.79 KCNH2 (0.51) ALDH1A1KCNH2POLA1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885KCNH2 919/4885POLA1 267/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885KCNH2 919/4885POLA1 267/4885

“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.