SCHEMBL6202430

SCHEMBL6202430

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(S(=O)(=O)NCc3cccnc3)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.48
TUBB P07437 1/20 0.48
NAMPT P43490 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PAX8 Q06710 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDPK1 O15530 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
MCHR1 Q99705 1/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 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
SCHEMBL6199057 0.92 TUBB (0.50) TUBBNAMPTPOLBMAPTEGLN1
SCHEMBL6197441 0.92 NAMPT (0.49) TUBBNAMPTPOLBEGLN1
SCHEMBL6198579 0.88 TUBB (0.46) TUBBNAMPTPOLBMAPTEGLN1
SCHEMBL6200208 0.88 TUBB (0.46) TUBBNAMPTPOLBMAPTPDPK1
SCHEMBL6200711 0.88 TUBB (0.47) TUBBSMN1; SMN2HTTPOLBMAPT
SCHEMBL6198839 0.87 CA1 (0.50) ALDH1A1KDM4ETUBBSMN1; SMN2POLB
SCHEMBL6197450 0.87 EGLN1 (0.43) KDM4ETUBBMAPTCYP2C19EGLN1
SCHEMBL6198214 0.87 SMN1; SMN2 (0.51) ALDH1A1KDM4ETUBBSMN1; SMN2HTT
SCHEMBL6202730 0.87 ALDH1A1 (0.47) ALDH1A1KDM4ETUBBSMN1; SMN2HTT
SCHEMBL6199914 0.86 TUBB (0.44) TUBBPOLBEGLN1LMNA

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-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 ALDH1A1 1209/4885KDM4E 4492/4885TUBB 1469/4885

“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.