SCHEMBL6200711

SCHEMBL6200711

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(S(=O)(=O)NCc3cccc(I)c3)cc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB P07437 2/20 0.47
MCL1 Q07820 2/20 0.42
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
CYP19A1 P11511 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
CXCR4 P61073 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNA5 P22460 1/20 0.39
PDPK1 O15530 1/20 0.39
POLA1 P09884 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.38
CCR1 P32246 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 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
SCHEMBL6199057 0.92 TUBB (0.50) TUBBMCL1TP53POLBMAPT
SCHEMBL6697465 0.89 TUBB (0.40) TUBBMCL1TP53POLBMAPT
SCHEMBL6202430 0.88 ALDH1A1 (0.49) TUBBPOLBMAPTEGLN1SMN1; SMN2
SCHEMBL6200208 0.88 TUBB (0.46) TUBBMCL1TP53POLBMAPT
SCHEMBL6198579 0.88 TUBB (0.46) TUBBMCL1TP53POLBMAPT
SCHEMBL6197441 0.88 NAMPT (0.49) TUBBMCL1TP53POLBEGLN1
SCHEMBL6204188 0.87 MCL1 (0.47) TUBBMCL1TP53POLBEGLN1
SCHEMBL6199914 0.87 TUBB (0.44) TUBBMCL1TP53POLBEGLN1
SCHEMBL6199548 0.87 NAMPT (0.48) TUBBMCL1TP53POLBMAPT
SCHEMBL6198839 0.87 CA1 (0.50) TUBBMCL1POLBCXCR4SMN1; SMN2

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
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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 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 1469/4885MCL1 3054/4885TP53 4730/4885

“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.