SCHEMBL6672153

SCHEMBL6672153

C[C@@H]1CCCC[C@@]1(O)CCc1cc(CC2CCOCC2)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)nnc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
MAPK1 P28482 2/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
CCR2 P41597 1/20 0.31
TBXA2R P21731 2/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLA1 P09884 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL6672157 1.00 EPHX1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6696310 0.84 POLA1 (0.36) EPHX1MAPK1THRBLMNAKMT2A
SCHEMBL6690714 0.83 LMNA (0.37) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6668056 0.83 MAPK1 (0.39) MAPK1GAAKMT2AALDH1A1MAPT
SCHEMBL6695866 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6670944 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6670947 0.83 NPC1 (0.33) EPHX1MAPK1THRBLMNAGAA
SCHEMBL6672693 0.82 MAPK1 (0.38) MAPK1GAAKMT2AALDH1A1MAPT
SCHEMBL6671395 0.82 ALDH1A1 (0.44) MAPK1THRBLMNAKMT2AALDH1A1
SCHEMBL6667440 0.82 MAPK1 (0.35) MAPK1GAAKMT2AALDH1A1MAPT

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
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
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

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 EPHX1 959/4885MAPK1 4363/4885THRB 4119/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 EPHX1 264/4885MAPK1 737/4885THRB 1519/4885

“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.