SCHEMBL6667005

SCHEMBL6667005

O=C(NCc1ccc(Cl)cc1)c1ccc2cnc(CN3CCOCC3)cc2c1O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.51
POLA1 P09884 2/20 0.51
RXFP1 Q9HBX9 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
F10 P00742 1/20 0.45
MLLT1 Q03111 1/20 0.44

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
SCHEMBL6669690 0.88 KCNH2 (0.50) KCNH2POLA1RXFP1ALDH1A1F10
SCHEMBL6668933 0.84 KCNH2 (0.52) KCNH2POLA1EGLN1ALDH1A1MLLT1
SCHEMBL6666276 0.83 EGLN1 (0.47) POLA1RXFP1EGLN1
SCHEMBL6665763 0.82 KCNH2 (0.54) KCNH2POLA1RXFP1ALDH1A1F10
SCHEMBL6723020 0.81 KCNH2 (0.47) KCNH2POLA1RXFP1ALDH1A1
SCHEMBL6716807 0.80 KCNH2 (0.46) KCNH2POLA1RXFP1ALDH1A1MLLT1
SCHEMBL6201283 0.80 KCNH2 (0.54) KCNH2POLA1RXFP1ALDH1A1F10
SCHEMBL6280316 0.80 KCNH2 (0.67) KCNH2POLA1
SCHEMBL6707995 0.79 KCNH2 (0.61) KCNH2POLA1RXFP1ALDH1A1F10
SCHEMBL6716949 0.79 RXFP1 (0.49) KCNH2POLA1RXFP1EGLN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
US-6562822-B2 Heterocyle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
EP-1299360-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP claimed
US-20020188004-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-12-12 US claimed
WO-2002004422-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
US-6562822-B2 Heterocyle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
EP-1299360-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020188004-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-12-12 US disclosed
WO-2002004422-A2 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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4095/4885POLA1 2447/4885RXFP1 47/4885
US-20020188004-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885RXFP1 3897/4885

“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.