SCHEMBL4140404

SCHEMBL4140404

Cc1ccc(C(=O)C(=O)c2ccc(C)cc2N)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.59
CES1 P23141 3/20 0.59
MAPT P10636 7/20 0.48
TDP1 Q9NUW8 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 5/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL52137 0.83 MAPT (0.60) CES2CES1MAPTTDP1SMN1; SMN2
SCHEMBL167254 0.77 CES2 (1.00) CES2CES1TDP1SMN1; SMN2LMNA
SCHEMBL29442128 0.76 CSNK2A1 (0.55) MAPTTDP1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL160721 0.76 ALDH1A1 (0.50) MAPTTDP1SMN1; SMN2L3MBTL1LMNA
SCHEMBL283554 0.76 CSNK2A1 (0.55) MAPTTDP1SMN1; SMN2ALDH1A1ALOX15
SCHEMBL4385594 0.76 ALDH1A1 (0.50) MAPTTDP1SMN1; SMN2L3MBTL1LMNA
SCHEMBL30310763 0.76 ALDH1A1 (0.50) MAPTTDP1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5032456 0.75 CES2 (0.51) CES2CES1MAPTTDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL7421003 0.75 ALDH1A1 (0.48) MAPTTDP1SMN1; SMN2L3MBTL1LMNA
SCHEMBL20440370 0.75 ALDH1A1 (0.48) MAPTTDP1SMN1; SMN2L3MBTL1LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-7396898-B2 Diamine, acid dianhydride, and reactive group containing polyimide composition prepared therefrom and process of preparing them KANEKA CORPORATION (JP) 2008-07-08 US disclosed
US-7141614-B2 Photosensitive resin composition and photosensitive films and laminates made by using the same KANEKA CORPORATION (JP) 2006-11-28 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-20040265731-A1 Photosensitive resin composition and photosensitive films and laminates made by using the same KANEKA CORPORATION (JP) 2004-12-30 US disclosed
US-20040235992-A1 Photosensitive resin composition and photosensitive dry film resist and photosensitive coverlay film produced therefrom KANEKA CORPORATION (JP) 2004-11-25 US disclosed
US-20040158030-A1 Diamine, acid dianhydride, polymide composition having reactive group obtained therefrom, and processes for producing these KANEKA CORPORATION (JP) 2004-08-12 US disclosed
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 CES2 380/4885CES1 715/4885MAPT 2748/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 CES2 380/4885CES1 715/4885MAPT 2748/4885

“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.