SCHEMBL6671395

SCHEMBL6671395

O=C(NCc1ccc(Cl)cc1)c1nnc2c(CCc3ccccc3)cc(CC3CCOCC3)cc2c1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MCHR1 Q99705 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXA2R P21731 2/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
PTGER4 P35408 1/20 0.35
USP36 Q9P275 1/20 0.35
CACNA1G O43497 1/20 0.35
ABCB1 P08183 1/20 0.35
PLAUR Q03405 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
SCHEMBL6672226 0.90 MAPK1 (0.36) ALDH1A1LMNAMCHR1MEN1KMT2A
SCHEMBL6668056 0.89 MAPK1 (0.39) ALDH1A1KMT2ATBXA2RMAPK1
SCHEMBL6672693 0.89 MAPK1 (0.38) ALDH1A1KMT2ATBXA2RMAPK1
SCHEMBL6667440 0.87 MAPK1 (0.35) ALDH1A1KMT2ATBXA2RMAPK1HTT
SCHEMBL6669978 0.85 MAPK1 (0.38) ALDH1A1KMT2AMAPK1THRB
SCHEMBL6669484 0.84 MAPK1 (0.36) MEN1KMT2ATBXA2RMAPK1TP53
SCHEMBL6671391 0.83 SMN1; SMN2 (0.36) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL6672153 0.82 EPHX1 (0.33) ALDH1A1LMNAMEN1KMT2ATBXA2R
SCHEMBL6672157 0.82 EPHX1 (0.33) ALDH1A1LMNAMEN1KMT2ATBXA2R
SCHEMBL6691671 0.82 CACNA1C (0.35) MEN1KMT2AMAPK1CACNA1G

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
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US claimed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US claimed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 WO claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed
EP-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 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 (2 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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 ALDH1A1 2845/4885LMNA 1550/4885MCHR1 2324/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 ALDH1A1 638/4885LMNA 528/4885MCHR1 2460/4885

“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.