SCHEMBL6724088

SCHEMBL6724088

O=C(NCc1ccc(Cl)cc1)c1cc2c3c(cc(CN4CCOCC4)cn3c1=O)CCC2

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.54
POLA1 P09884 2/20 0.53
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL13316512 0.81 HTT (0.41) CNR2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL6283194 0.80 KCNH2 (0.55) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6279723 0.77 RXFP1 (0.57) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6286356 0.77 RXFP1 (0.59) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6283845 0.76 KCNH2 (0.53) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6729536 0.74 KCNH2 (0.67) KCNH2POLA1ALDH1A1
SCHEMBL6702809 0.73 KCNH2 (0.54) KCNH2POLA1
SCHEMBL6280370 0.73 RXFP1 (0.63) KCNH2POLA1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL6288991 0.72 MLLT1 (0.55) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6284361 0.72 RXFP1 (0.57) KCNH2POLA1ALDH1A1RXFP1SMN1; SMN2

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 11 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-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
US-7745459-B2 Quinolizinone compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2010-06-29 US disclosed
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-6605631-B1 Controlling fungi and pests; improved activity and plant tolerability BASF AKTIENGESELLSCHAFT (DE) 2003-08-12 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
US-6031110-A Ortho-substituted 2-methoxyiminophenyl-N-methylacetamides BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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 267/4885CNR2 330/4885
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 KCNH2 4095/4885POLA1 2447/4885CNR2 811/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885CNR2 330/4885

“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.