SCHEMBL6196012

SCHEMBL6196012

O=C(NCc1ccc(Cl)cc1)c1cnc2c(OC3CCOCC3)c(F)c(F)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
S1PR3 Q99500 2/20 0.39
P2RX7 Q99572 1/20 0.38
CNR2 P34972 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RIPK1 Q13546 2/20 0.38
RPS6KA1 Q15418 1/20 0.38
NR3C1 P04150 1/20 0.37
LMNA P02545 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
SCHEMBL6222048 0.90 EGLN1 (0.38) MAPK1RXFP1LIPGTP53EGLN1
SCHEMBL6196014 0.88 MAPK1 (0.42) MAPK1RXFP1LIPGTP53EGLN1
SCHEMBL6197307 0.84 EGLN1 (0.44) EGLN1CYP1A2CYP3A4NR3C1LMNA
SCHEMBL6198591 0.81 EGLN1 (0.49) EGLN1CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL6195899 0.81 MAPK1 (0.43) MAPK1EGLN1CNR2CYP1A2CYP3A4
SCHEMBL6195970 0.80 EGLN1 (0.46) EGLN1CNR2CYP1A2CYP3A4NR3C1
SCHEMBL6198708 0.78 EGLN1 (0.44) EGLN1CYP1A2CYP3A4NR3C1LMNA
SCHEMBL6199268 0.77 MAPK1 (0.44) MAPK1EGLN1CNR2CYP1A2CYP3A4
SCHEMBL8122619 0.76 NR3C1 (0.43) EGLN1CNR2CYP1A2CYP3A4NR3C1
SCHEMBL6197948 0.76 EGLN1 (0.42) EGLN1CNR2CYP1A2CYP3A4NR3C1

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 MAPK1 895/4885RXFP1 45/4885LIPG 23/4885

“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.