SCHEMBL12378499

SCHEMBL12378499

O=C1NCc2c1c(O)c1ncc(Cc3ccc(F)cc3)cc1c2N1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
OPRK1 P41145 1/20 0.32
CCR6 P51684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NTRK1 P04629 1/20 0.31
GPR52 Q9Y2T5 3/20 0.31
PARP1 P09874 1/20 0.30
GRM2 Q14416 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
SCHEMBL14384961 0.84 GRM2 (0.34) NTRK1PARP1GRM2
SCHEMBL12418392 0.82 CSF1R (0.35) NTRK1PARP1GRM2
SCHEMBL12378262 0.82 GRM2 (0.35) TDP1PARP1GRM2
SCHEMBL12378318 0.79 PARP1 (0.32) PARP1
SCHEMBL12378375 0.79 KDM5A (0.34) NTRK1PARP1
SCHEMBL12378307 0.78 RIPK3 (0.34) SMN1; SMN2NTRK1
SCHEMBL12378256 0.77 PARP1 (0.33) PARP1
SCHEMBL12378298 0.77 GRM2 (0.34) TDP1PARP1GRM2
SCHEMBL12415956 0.76 PARP1 (0.30) PARP1
SCHEMBL12378638 0.75 GRIN1 (0.38) GPR52PARP1GRM2

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 7 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-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

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 835/4885OPRK1 2970/4885CCR6 2486/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI GAA 482/4885OPRK1 2837/4885CCR6 2805/4885

“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.