SCHEMBL12378401

SCHEMBL12378401

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)NCC(F)(F)F)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LIPG Q9Y5X9 2/20 0.35
TLR2 O60603 2/20 0.35
ULK1 O75385 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 3/20 0.33
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
TACR1 P25103 1/20 0.32
EGLN2 Q96KS0 2/20 0.32

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
SCHEMBL12378709 0.93 PREP (0.34) MEN1KMT2ALIPGTLR2L3MBTL1
SCHEMBL12378399 0.90 LIPG (0.36) MEN1KMT2ALIPGTLR2L3MBTL1
SCHEMBL12378421 0.89 GPR52 (0.39) MEN1KMT2ALIPGTLR2L3MBTL1
SCHEMBL12378423 0.86 CNR2 (0.46) MEN1KMT2ALIPGCNR2
SCHEMBL13623963 0.86 EGLN1 (0.37) MEN1KMT2ALIPGTLR2L3MBTL1
SCHEMBL12378352 0.86 CSNK1D (0.33) MEN1KMT2ALIPGTLR2CNR2
SCHEMBL13623962 0.86 LIPG (0.34) MEN1KMT2ALIPGTLR2L3MBTL1
SCHEMBL13623961 0.85 PLA2G2A (0.36) MEN1KMT2ALIPGTLR2CNR2
SCHEMBL13624013 0.85 GRM2 (0.37) LIPGTLR2
SCHEMBL12378392 0.85 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1

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 MEN1 4674/4885KMT2A 1657/4885LIPG 2233/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI MEN1 4614/4885KMT2A 1744/4885LIPG 2306/4885

“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.