SCHEMBL6682832

SCHEMBL6682832

O=C(NCc1ccc(Cl)cc1)c1oc(=O)c2ccc(C#CCO)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.42
MMP2 P08253 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38

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
SCHEMBL6723476 0.82 SERPINE1 (0.46) ALDH1A1TDP1HPGDMAPTTHRB
SCHEMBL6684798 0.77 POLA1 (0.52) ALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6684490 0.77 ALDH1A1 (0.41) MMP3ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL6285021 0.74 L3MBTL1 (0.48) TDP1L3MBTL1
SCHEMBL6669962 0.74 EGLN1 (0.44) HPGD
SCHEMBL6196625 0.74 NR3C1 (0.44) SMN1; SMN2LMNAHPGD
SCHEMBL6197455 0.74 NR3C1 (0.44) HPGD
SCHEMBL6286392 0.73 GAA (0.45) ALDH1A1SMN1; SMN2TP53HPGDMAPT
SCHEMBL6288685 0.72 TDP1 (0.50) TDP1L3MBTL1HPGD
SCHEMBL6286358 0.71 ABCB1 (0.41) ALDH1A1TP53MAPT

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 11 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
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US 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
WO-2004019933-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US disclosed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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 MMP3 191/4885MMP2 99/4885ALDH1A1 1190/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MMP3 4274/4885MMP2 4264/4885ALDH1A1 779/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MMP3 4274/4885MMP2 4264/4885ALDH1A1 779/4885

“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.