SCHEMBL6199733

SCHEMBL6199733

NC(=O)CNS(=O)(=O)c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TUBB P07437 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CCR1 P32246 2/20 0.40
MCL1 Q07820 1/20 0.39
NR3C1 P04150 1/20 0.38
LMNA P02545 1/20 0.38
CXCR4 P61073 1/20 0.38
GSK3B P49841 1/20 0.38
KCNA5 P22460 1/20 0.38
POLA1 P09884 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL6196503 0.92 TUBB (0.45) TUBBEGLN1CA1CA2CCR1
SCHEMBL6199057 0.92 TUBB (0.50) TUBBEGLN1CA1CA2MCL1
SCHEMBL6200208 0.90 TUBB (0.46) TUBBEGLN1CA1CA2MCL1
SCHEMBL6199314 0.89 TUBB (0.42) TUBBEGLN1CA1CA2CCR1
SCHEMBL6198839 0.89 CA1 (0.50) TUBBCA1CA2MCL1CXCR4
SCHEMBL6197450 0.89 EGLN1 (0.43) TUBBEGLN1CA1CA2CCR1
SCHEMBL6196926 0.89 TP53 (0.46) TUBBEGLN1MCL1LMNATP53
SCHEMBL6199070 0.89 TUBB (0.43) TUBBEGLN1CA1CA2CCR1
SCHEMBL6199745 0.88 TUBB (0.42) TUBBEGLN1CA1CA2CCR1
SCHEMBL6197775 0.88 TUBB (0.42) TUBBEGLN1CA1CA2CCR1

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
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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP claimed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US claimed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO 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
WO-2004031110-A2 ISOMERISATION OF CHIRAL HOMOGENEOUS O,O'-DIHYDROXYBIPHENYL DERIVATIVES ARLT DIETER (DE) 2004-04-15 WO 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 TUBB 1469/4885EGLN1 1974/4885CA1 4059/4885

“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.