SCHEMBL6286644

SCHEMBL6286644

O=C(NCc1ccc(Cl)cc1)c1ncc2ccc(CN3CCOCC3)cn2c1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
POLA1 P09884 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MLLT1 Q03111 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 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
SCHEMBL6283194 0.84 KCNH2 (0.55) KCNH2POLA1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL6288991 0.84 MLLT1 (0.55) KCNH2POLA1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL6279723 0.81 RXFP1 (0.57) KCNH2POLA1ALDH1A1RXFP1MLLT1
SCHEMBL6279640 0.79 CYP1A2 (0.44) SMN1; SMN2TSHR
SCHEMBL6286356 0.79 RXFP1 (0.59) KCNH2POLA1ALDH1A1RXFP1MLLT1
SCHEMBL6283845 0.79 KCNH2 (0.53) KCNH2POLA1ALDH1A1RXFP1MLLT1
SCHEMBL6668933 0.77 KCNH2 (0.52) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6334722 0.75 ABCB1 (0.45) SMN1; SMN2
SCHEMBL6280370 0.75 RXFP1 (0.63) KCNH2POLA1ALDH1A1RXFP1SMN1; SMN2
SCHEMBL6713757 0.75 EGLN1 (0.51) KCNH2POLA1ALDH1A1MLLT1NPC1

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 10 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-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
US-20020025960-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 (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 2447/4885ALDH1A1 1190/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885ALDH1A1 779/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885ALDH1A1 779/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KCNH2 919/4885POLA1 267/4885ALDH1A1 779/4885

“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.