SCHEMBL12378085

SCHEMBL12378085

CNc1c2c(c(OC(c3ccccc3)c3ccccc3)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
CACNA2D1 P54289 4/20 0.38
PTGER4 P35408 5/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
KAT2B Q92831 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL14573800 0.90 IDH1 (0.36) IDH1CACNA2D1PTGER4
SCHEMBL4749255 0.89 IDH1 (0.37) IDH1CACNA2D1PTGER4LMNAL3MBTL1
SCHEMBL14573785 0.89 IDH1 (0.37) IDH1CACNA2D1PTGER4
SCHEMBL14573779 0.88 PTGER4 (0.36) IDH1CACNA2D1PTGER4
SCHEMBL12378297 0.88 IDH1 (0.37) IDH1CACNA2D1PTGER4LMNASMN1; SMN2
SCHEMBL14573819 0.88 CASP3 (0.38) IDH1PTGER4L3MBTL1
SCHEMBL13943425 0.87 IDH1 (0.37) IDH1CACNA2D1PTGER4LMNASMN1; SMN2
SCHEMBL4150126 0.87 KDM4E (0.38) IDH1CACNA2D1LMNASMN1; SMN2L3MBTL1
SCHEMBL13943427 0.86 IDH1 (0.36) IDH1CACNA2D1PTGER4LMNASMN1; SMN2
SCHEMBL4142672 0.86 IDH1 (0.39) IDH1CACNA2D1PTGER4LMNAL3MBTL1

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 disclosed
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
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US 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
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 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 (4 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS IDH1 104/4885CACNA2D1 3261/4885PTGER4 3914/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE IDH1 166/4885CACNA2D1 3906/4885PTGER4 4254/4885
US-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS IDH1 110/4885CACNA2D1 3496/4885PTGER4 3944/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI IDH1 54/4885CACNA2D1 3068/4885PTGER4 3587/4885

“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.