SCHEMBL6732212

SCHEMBL6732212

O=C(NCc1ccc(Cl)cc1)c1cn2cnc3cc(CN4CCOCC4)cc(c1=O)c32

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.69
POLA1 P09884 2/20 0.66
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 1/20 0.47
MLLT1 Q03111 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
F10 P00742 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
SCHEMBL6727116 0.88 KCNH2 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6706665 0.84 KCNH2 (0.70) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6668127 0.83 KCNH2 (0.75) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6707882 0.82 POLA1 (0.74) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6667730 0.82 KCNH2 (0.74) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6710976 0.82 KCNH2 (0.65) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6730292 0.81 KCNH2 (0.49) KCNH2POLA1
SCHEMBL6724257 0.81 KCNH2 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6669876 0.81 KCNH2 (0.89) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6709251 0.81 KCNH2 (0.60) KCNH2POLA1MEN1KMT2AF2

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 8 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
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US claimed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US claimed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
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
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (3 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 KCNH2 919/4885POLA1 267/4885MEN1 2250/4885
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4095/4885POLA1 2447/4885MEN1 2651/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885MEN1 2250/4885

“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.