SCHEMBL6684490

SCHEMBL6684490

O=C(NCc1ccc(Cl)cc1)c1oc(=O)c2ccc(CC3CCOCC3)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP3 P08254 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
CCR2 P41597 1/20 0.38
POLA1 P09884 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.37
RORC P51449 2/20 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
SCHEMBL6684798 0.83 POLA1 (0.52) ALDH1A1MAPTSMN1; SMN2TSHRPOLA1
SCHEMBL6670932 0.77 MAPK1 (0.41) ALDH1A1TDP1HPGDMAPTTHRB
SCHEMBL6682832 0.77 MMP3 (0.42) ALDH1A1TDP1HPGDMAPTTHRB
SCHEMBL7841422 0.76 MAPK1 (0.45) MAPK1TP53
SCHEMBL6669425 0.76 MAPK1 (0.45) ALDH1A1KMT2AMAPK1
SCHEMBL6279665 0.74 GAA (0.46) ALDH1A1TDP1HPGDMAPTTHRB
SCHEMBL6280215 0.74 MAPK1 (0.40) ALDH1A1TDP1HPGDMAPTTHRB
SCHEMBL6716698 0.74 EGLN1 (0.47) ALDH1A1KMT2AMAPK1
SCHEMBL6697765 0.73 MEN1 (0.67) MAPTTHRBKMT2ATP53MEN1
SCHEMBL6766761 0.72 MAPK1 (0.45) LMNAMAPK1TP53

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 10 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
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 ALDH1A1 1190/4885TDP1 2094/4885HPGD 387/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885TDP1 1534/4885HPGD 1618/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ALDH1A1 779/4885TDP1 1534/4885HPGD 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.