SCHEMBL6197930

SCHEMBL6197930

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)OCCCc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 6/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TDP1 Q9NUW8 8/20 0.42
KDM4E B2RXH2 2/20 0.42
PAX8 Q06710 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
P2RY2 P41231 1/20 0.38
ATM Q13315 2/20 0.38
BRD4 O60885 1/20 0.37
KLK7 P49862 1/20 0.36
KLK5 Q9Y337 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL6195418 0.87 TRPA1 (0.39) NPSR1MAPTGAACA2
SCHEMBL6200596 0.85 BRD4 (0.37) POLBNPSR1MAPTKMT2AMEN1
SCHEMBL6201682 0.82 GAA (0.36) POLBMAPTGAA
SCHEMBL6667062 0.80 POLB (0.37) POLBNPSR1MAPTKMT2AMEN1
SCHEMBL6200535 0.80 EGLN1 (0.42) POLBMAPTKMT2AMEN1KDM4E
SCHEMBL6201997 0.80 EGLN1 (0.37)
Trifluoroacetic Acid SCHEMBL6198172 0.79 LMNA (0.36) POLBMAPT
SCHEMBL6198178 0.79 EGLN1 (0.38)
SCHEMBL6199313 0.79 LMNA (0.39) POLBMAPTKMT2AMEN1
SCHEMBL6200092 0.78 EGLN1 (0.38)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US claimed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US claimed
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
US-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-23 US disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 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 (1 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-20040186131-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 POLB 1698/4885NPSR1 729/4885MAPT 4842/4885

“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.