SCHEMBL6286356

SCHEMBL6286356

O=C(NCc1ccc(Cl)cc1)c1cnc2ncc(CN3CCOCC3)cn2c1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.59
KCNH2 Q12809 7/20 0.54
POLA1 P09884 2/20 0.51
ALDH1A1 P00352 1/20 0.49
POLB P06746 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

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
SCHEMBL6279723 0.89 RXFP1 (0.57) RXFP1KCNH2POLA1ALDH1A1MLLT1
SCHEMBL6283845 0.88 KCNH2 (0.53) RXFP1KCNH2POLA1ALDH1A1MLLT1
SCHEMBL6283698 0.84 RXFP1 (0.54) RXFP1KCNH2ALDH1A1POLBTSHR
SCHEMBL6280370 0.84 RXFP1 (0.63) RXFP1KCNH2POLA1ALDH1A1POLB
SCHEMBL6284361 0.83 RXFP1 (0.57) RXFP1KCNH2POLA1ALDH1A1POLB
SCHEMBL6283194 0.82 KCNH2 (0.55) RXFP1KCNH2POLA1ALDH1A1MLLT1
SCHEMBL6285883 0.80 RXFP1 (0.62) RXFP1KCNH2POLA1ALDH1A1POLB
SCHEMBL6288980 0.79 RXFP1 (0.47) RXFP1ALDH1A1TSHR
SCHEMBL6286644 0.79 KCNH2 (0.52) RXFP1KCNH2POLA1ALDH1A1MLLT1
SCHEMBL6724088 0.77 KCNH2 (0.54) RXFP1KCNH2POLA1ALDH1A1NPC1

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 RXFP1 47/4885KCNH2 4095/4885POLA1 2447/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885POLA1 267/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885POLA1 267/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885POLA1 267/4885

“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.