SCHEMBL6684798

SCHEMBL6684798

O=C(NCc1ccc(Cl)cc1)c1oc(=O)c2ccc(CN3CCOCC3)cc2c1O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.52
KCNH2 Q12809 7/20 0.51
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
MLLT1 Q03111 1/20 0.46
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.44

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
SCHEMBL6716962 0.83 POLA1 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6684490 0.83 ALDH1A1 (0.41) POLA1ALDH1A1NPC1RAB9ATSHR
SCHEMBL6288507 0.77 KCNH2 (0.53) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6670929 0.77 POLA1 (0.50) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6682832 0.77 MMP3 (0.42) ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6201283 0.76 KCNH2 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6668933 0.76 KCNH2 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6286783 0.75 KCNH2 (0.59) POLA1KCNH2ALDH1A1
SCHEMBL6665763 0.74 KCNH2 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6280321 0.74 KCNH2 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A

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 12 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
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 POLA1 2447/4885KCNH2 4095/4885ALDH1A1 1190/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 POLA1 267/4885KCNH2 919/4885ALDH1A1 779/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 POLA1 267/4885KCNH2 919/4885ALDH1A1 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.