SCHEMBL6840599

SCHEMBL6840599

Cn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CN3CCOCC3)nc(Cl)c21

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.68
POLA1 P09884 2/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
F2 P00734 1/20 0.50
TP53 P04637 1/20 0.49

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
SCHEMBL6283191 0.93 KCNH2 (0.66) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6288993 0.90 KCNH2 (0.61) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6280316 0.85 KCNH2 (0.67) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6789243 0.84 POLA1 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6698737 0.84 POLA1 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6734926 0.84 POLA1 (0.60) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6813447 0.84 KCNH2 (0.69) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6814213 0.84 KCNH2 (0.67) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6281183 0.83 KCNH2 (0.71) KCNH2POLA1MEN1KMT2AF2
SCHEMBL6725093 0.83 POLA1 (0.58) 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 6 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-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US claimed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US claimed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US claimed
US-20020025960-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 2447/4885MEN1 2651/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885MEN1 2250/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885MEN1 2250/4885
US-20030207880-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.