SCHEMBL6198567

SCHEMBL6198567

O=C(NNc1ccc(Cl)cc1)c1cnc2c(F)c(F)c(F)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.43
ALDH1A1 P00352 7/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX12 P18054 2/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 6/20 0.42
LMNA P02545 5/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
AGTR1 P30556 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
GFER P55789 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 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
SCHEMBL6200932 0.84 GAA (0.41) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198572 0.84 PTGS2 (0.44) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6200560 0.83 GAA (0.52) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6202705 0.81 GAA (0.36) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6198591 0.81 EGLN1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL6204065 0.76 GAA (0.47) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6199743 0.74 GAA (0.44) GAAALDH1A1CYP1A2CYP3A4ALOX12
SCHEMBL6201203 0.73 KDM4E (0.41) ALDH1A1ALOX12MAPTCYP2C9HPGD
SCHEMBL6195899 0.70 MAPK1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL6197986 0.70 EGLN1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA

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 9 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
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US 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 GAA 1923/4885ALDH1A1 1209/4885CYP1A2 3335/4885

“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.