SCHEMBL6723476

SCHEMBL6723476

O=C(NCc1ccc(Cl)cc1)c1[nH]c(=O)c2ccc(C#CCO)cc2c1O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 2/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NHERF1 O14745 1/20 0.37

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
SCHEMBL6718574 0.85 LMNA (0.40) SERPINE1MEN1KMT2AHPGD
SCHEMBL6682832 0.82 MMP3 (0.42) THRBHPGDALDH1A1MAPTTDP1
SCHEMBL6716962 0.77 POLA1 (0.52) ALDH1A1
SCHEMBL6285021 0.74 L3MBTL1 (0.48) TDP1
SCHEMBL6669962 0.74 EGLN1 (0.44) HPGD
SCHEMBL6196625 0.74 NR3C1 (0.44) MEN1KMT2AHPGD
SCHEMBL6197455 0.74 NR3C1 (0.44) HPGD
SCHEMBL6286392 0.73 GAA (0.45) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL7846831 0.72 MEN1 (0.42) MEN1KMT2ATHRBHPGDALDH1A1
SCHEMBL6286358 0.71 ABCB1 (0.41) MEN1KMT2AALDH1A1MAPT

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-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP claimed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US claimed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 US disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 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 (3 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 SERPINE1 96/4885MEN1 2651/4885KMT2A 4576/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SERPINE1 2680/4885MEN1 2250/4885KMT2A 993/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 SERPINE1 2680/4885MEN1 2250/4885KMT2A 993/4885

“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.