SCHEMBL2292805

SCHEMBL2292805

CNCc1ccc(F)cc1C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 9/20 0.41
HTR2A P28223 8/20 0.41
KCNH2 Q12809 7/20 0.40
PARP1 P09874 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MPO P05164 1/20 0.38
MAPK14 Q16539 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL14067846 0.86 GAA (0.46) GAAMAPK1CES2CES1MPO
SCHEMBL5011700 0.86 MAPK1 (0.47) GAAMAPK1
SCHEMBL2290818 0.85 KEAP1 (0.49) SLC6A4HTR2AKCNH2PARP1SLC6A2
SCHEMBL1503262 0.83 GAA (0.43) GAAMAPK1CES2CES1MPO
Hydrochloric Acid SCHEMBL3840135 0.82 GAA (0.42) GAAMAPK1CES2CES1MPO
Hydrochloric Acid SCHEMBL4763208 0.82 GAA (0.42) GAAMAPK1CES2CES1MPO
Hydrochloric Acid SCHEMBL7258062 0.81 HPGD (0.55)
SCHEMBL2292800 0.81 GAA (0.41) GAAMAPK1CES2CES1MPO
SCHEMBL2522396 0.79 KCNA5 (0.42) MAPK1
SCHEMBL28777078 0.79 MAPK1 (0.37) GAAMAPK1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US claimed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US claimed
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP claimed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US claimed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 WO claimed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
EP-2066670-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-06-10 EP disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS GAA 835/4885MAPK1 3463/4885SLC6A4 3573/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI GAA 482/4885MAPK1 2887/4885SLC6A4 4119/4885

“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.