SCHEMBL6196102

SCHEMBL6196102

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(S(=O)(=O)NCCc3ccccc3)cc2c1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 2/20 0.50
TUBB P07437 1/20 0.49
TP53 P04637 3/20 0.47
MAPT P10636 5/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
XBP1 P17861 1/20 0.44
MCL1 Q07820 1/20 0.44
PRMT1 Q99873 1/20 0.44
KCNA5 P22460 1/20 0.44
AKR1C3 P42330 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL6196926 0.97 TP53 (0.46) SGMS1TUBBTP53MAPTLMNA
SCHEMBL6199187 0.95 TUBB (0.47) SGMS1TUBBTP53MAPTLMNA
SCHEMBL6198661 0.91 TUBB (0.44) SGMS1TUBBTP53MAPTLMNA
SCHEMBL6202136 0.90 SMN1; SMN2 (0.45) SGMS1TUBBMAPTLMNAMEN1
SCHEMBL6197332 0.90 TUBB (0.44) SGMS1TUBBLMNAMEN1KMT2A
SCHEMBL6197450 0.90 EGLN1 (0.43) TUBBTP53MAPTLMNAMEN1
SCHEMBL6199070 0.90 TUBB (0.43) TUBBTP53MAPTLMNAMEN1
SCHEMBL6199057 0.90 TUBB (0.50) TUBBTP53MAPTLMNAMEN1
SCHEMBL6199613 0.90 TUBB (0.45) SGMS1TUBBTP53MCL1KCNA5
SCHEMBL6197775 0.89 TUBB (0.42) TUBBTP53MAPTLMNAMEN1

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
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
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
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 SGMS1 311/4885TUBB 1469/4885TP53 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.