SCHEMBL6672468

SCHEMBL6672468

O=C(NCc1ccc(Cl)cc1)c1ccc2cnc(C#CCO)cc2c1O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.51
POLA1 P09884 2/20 0.45
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR3C1 P04150 1/20 0.40
LMNA P02545 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
SCHEMBL6713746 0.87 EGLN1 (0.43) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6669962 0.81 EGLN1 (0.44) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6717283 0.80 MAPK8 (0.44) EGLN1POLA1HPGDCYP1A1NR3C1
SCHEMBL6286401 0.77 MAPT (0.54)
SCHEMBL6196625 0.77 NR3C1 (0.44) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6669782 0.77 EGLN1 (0.50) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6197455 0.77 NR3C1 (0.44) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6699580 0.77 EGLN1 (0.43) EGLN1POLA1HPGDCYP1A1NR3C1
SCHEMBL6707963 0.76 SMN1; SMN2 (0.44) EGLN1POLA1HPGDCYP1A2CYP2C19
SCHEMBL6287132 0.75 MEN1 (0.43) HPGDCYP1A2CYP2C19CYP2C9NPSR1

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 9 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
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
US-6562822-B2 Heterocyle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
EP-1299360-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP claimed
US-20020188004-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-12-12 US claimed
WO-2002004422-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
US-6562822-B2 Heterocyle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2003-05-13 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 (2 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 EGLN1 1486/4885POLA1 2447/4885HPGD 387/4885
US-20020188004-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 EGLN1 134/4885POLA1 267/4885HPGD 1618/4885

“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.