SCHEMBL6737035

SCHEMBL6737035

O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(CCCO)cn2c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
NR3C1 P04150 1/20 0.42
CLK1 P49759 1/20 0.41

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
SCHEMBL6287491 0.88 CLK1 (0.47) RXFP1HPGDKDM4EALDH1A1MAPT
SCHEMBL6283710 0.84 RXFP1 (0.50) RXFP1HPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL6288980 0.82 RXFP1 (0.47) RXFP1HPGDKDM4EALDH1A1MAPT
SCHEMBL6288966 0.81 RXFP1 (0.51) RXFP1HPGDSMN1; SMN2CYP1A2CYP2C9
SCHEMBL6284361 0.80 RXFP1 (0.57) RXFP1ALDH1A1SMN1; SMN2
SCHEMBL6286276 0.80 SMN1; SMN2 (0.44) RXFP1HPGDKDM4EALDH1A1MAPT
SCHEMBL6286363 0.78 CLK1 (0.49) RXFP1HPGDKDM4EALDH1A1MAPT
SCHEMBL6289000 0.75 CLK1 (0.45) RXFP1HPGDKDM4EALDH1A1MAPT
SCHEMBL6287426 0.75 MEN1 (0.43) HPGDALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL6284766 0.74 MAPT (0.55) MAPT

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-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-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 47/4885HPGD 387/4885KDM4E 4311/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885HPGD 1618/4885KDM4E 201/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885HPGD 1618/4885KDM4E 201/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 RXFP1 3897/4885HPGD 1618/4885KDM4E 201/4885

“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.