SCHEMBL6690714

SCHEMBL6690714

CC(c1cc(CC2CCOCC2)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)nnc12)[C@@]1(O)CCCC[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX1 P07099 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL6696306 0.84 LMNA (0.36) LMNATHRBSMN1; SMN2MAPTKMT2A
SCHEMBL6672157 0.83 EPHX1 (0.33) LMNATHRBSMN1; SMN2GAAMAPT
SCHEMBL6672153 0.83 EPHX1 (0.33) LMNATHRBSMN1; SMN2GAAMAPT
SCHEMBL6670947 0.83 NPC1 (0.33) LMNATHRBGAAMAPTMAPK1
SCHEMBL6670944 0.83 NPC1 (0.33) LMNATHRBGAAMAPTMAPK1
SCHEMBL6695866 0.83 NPC1 (0.33) LMNATHRBGAAMAPTMAPK1
SCHEMBL6671391 0.82 SMN1; SMN2 (0.36) LMNATHRBSMN1; SMN2GAAMAPT
SCHEMBL6672193 0.77 POLA1 (0.44) MAPTALDH1A1
SCHEMBL6667328 0.76 MAPK1 (0.37) LMNASMN1; SMN2GAAMAPTMAPK1
SCHEMBL6667440 0.76 MAPK1 (0.35) SMN1; SMN2GAAMAPTMAPK1ALDH1A1

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 8 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
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 LMNA 1550/4885THRB 4119/4885SMN1; SMN2 3389/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 LMNA 528/4885THRB 1519/4885SMN1; SMN2 3684/4885

“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.