SCHEMBL6670944

SCHEMBL6670944

C[C@@H]1CCCC[C@]1(O)C#Cc1cc(CC2CCOCC2)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)nnc12

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
POLA1 P09884 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
EPHX1 P07099 1/20 0.31
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30
CNR2 P34972 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
SCHEMBL6695866 1.00 NPC1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6670947 1.00 NPC1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6691688 0.84 POLA1 (0.36) RAB9ATHRBLMNAKMT2AMAPT
SCHEMBL6691685 0.84 POLA1 (0.36) RAB9ATHRBLMNAKMT2AMAPT
SCHEMBL6669028 0.84 MAPK1 (0.39) MAPK1GAAALDH1A1KMT2AMAPT
SCHEMBL6690714 0.83 LMNA (0.37) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6672153 0.83 EPHX1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6672157 0.83 EPHX1 (0.33) NPC1RAB9AMAPK1GAATHRB
SCHEMBL6667328 0.83 MAPK1 (0.37) MAPK1GAALMNAALDH1A1KMT2A
SCHEMBL6669484 0.82 MAPK1 (0.36) MAPK1GAAKMT2APOLA1EGLN1

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 NPC1 498/4885RAB9A 3147/4885MAPK1 4363/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 NPC1 88/4885RAB9A 1437/4885MAPK1 737/4885

“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.