SCHEMBL6283698

SCHEMBL6283698

O=C(NCc1ccc(Cl)cc1)c1cnc2ncc(CC3CCOCC3)cn2c1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.54
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.42
KCNH2 Q12809 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40
NAMPT P43490 1/20 0.40
NR3C1 P04150 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6286356 0.84 RXFP1 (0.59) RXFP1POLBKCNH2ALDH1A1TSHR
SCHEMBL6286625 0.80 RXFP1 (0.56) RXFP1POLBSMN1; SMN2MAPK1THRB
SCHEMBL6288980 0.79 RXFP1 (0.47) RXFP1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL7841422 0.75 MAPK1 (0.45) RXFP1MAPK1TP53NR3C1EGLN1
SCHEMBL6279723 0.75 RXFP1 (0.57) RXFP1KCNH2ALDH1A1
SCHEMBL6283195 0.75 RXFP1 (0.44) RXFP1MAPK1KCNH2TP53
SCHEMBL6284294 0.75 RXFP1 (0.46) RXFP1MAPK1KCNH2
SCHEMBL6283724 0.73 RXFP1 (0.43) RXFP1POLBSMN1; SMN2MAPK1THRB
SCHEMBL6285943 0.73 RXFP1 (0.46) RXFP1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL6766761 0.73 MAPK1 (0.45) RXFP1MAPK1TP53NR3C1EGLN1

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 8 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

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 47/4885POLB 1634/4885SMN1; SMN2 3519/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885SMN1; SMN2 4321/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885SMN1; SMN2 4321/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885POLB 1649/4885SMN1; SMN2 4321/4885

“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.