SCHEMBL6279723

SCHEMBL6279723

O=C(NCc1ccc(Cl)cc1)c1cnc2ccc(CN3CCOCC3)cn2c1=O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
KCNH2 Q12809 7/20 0.54
MLLT1 Q03111 1/20 0.52
POLA1 P09884 2/20 0.51
ALDH1A1 P00352 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SLC2A1 P11166 1/20 0.47

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
SCHEMBL6283845 0.94 KCNH2 (0.53) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6284361 0.89 RXFP1 (0.57) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6286356 0.89 RXFP1 (0.59) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6283194 0.84 KCNH2 (0.55) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6280370 0.84 RXFP1 (0.63) RXFP1KCNH2POLA1ALDH1A1
SCHEMBL6288991 0.84 MLLT1 (0.55) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6285883 0.83 RXFP1 (0.62) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6286644 0.81 KCNH2 (0.52) RXFP1KCNH2MLLT1POLA1ALDH1A1
SCHEMBL6286363 0.80 CLK1 (0.49) RXFP1ALDH1A1NPC1RAB9A
SCHEMBL6287491 0.79 CLK1 (0.47) RXFP1ALDH1A1

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 4095/4885MLLT1 3151/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885MLLT1 2478/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885MLLT1 2478/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885KCNH2 919/4885MLLT1 2478/4885

“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.