SCHEMBL1345115

SCHEMBL1345115

O=C(Nc1ccccc1)C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.62
ATM Q13315 3/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
HSP90AA1 P07900 1/20 0.62
HDAC1 Q13547 2/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
GPR55 Q9Y2T6 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
KLK7 P49862 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MAPT P10636 4/20 0.47
S1PR3 Q99500 2/20 0.47

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
SCHEMBL14842551 0.87 POLB (0.70) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL28570991 0.83 POLB (0.66) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL6321117 0.81 GAA (0.60) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL1667152 0.80 TDP1 (0.67) ATMRAB9ATDP1L3MBTL1LMNA
SCHEMBL5680365 0.79 MEN1 (0.64) GAARAB9ANPC1HDAC1POLB
SCHEMBL1753888 0.79 HDAC1 (0.73) GAAATMRAB9ANPC1HSP90AA1
SCHEMBL29586362 0.78 TDP1 (0.64) ATMRAB9ATDP1L3MBTL1LMNA
SCHEMBL28025801 0.78 TDP1 (0.64) ATMRAB9ATDP1L3MBTL1LMNA
SCHEMBL29089510 0.77 POLB (0.58) GAAATMRAB9AHSP90AA1HDAC1
SCHEMBL56317 0.77 SRC (0.70) TDP1L3MBTL1LMNACES2CES1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
CN-101501002-B Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2012-06-27 CN disclosed
US-8063064-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2057125-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7906540-B2 Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections ROCHE PALO ALTO LLC (US) 2011-03-15 US disclosed
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KENNEDY-SMITH JOSHUA 2011-03-10 US disclosed
US-7754919-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-07-13 US disclosed
US-7713974-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
CN-101679414-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE 2010-03-24 CN disclosed
CN-101657433-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE CH 2010-02-24 CN disclosed
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US disclosed
WO-2007039463-A1 NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
CN-1946680-A Non-nucleoside reverse transcriptase inhibitors HOFFMANN LA ROCHE (CH) 2007-04-11 CN disclosed
US-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-05 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 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 (6 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-20070078128-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, HPRT1, RTF1 GAA 823/4885ATM 1967/4885RAB9A 3004/4885
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 GAA 630/4885ATM 2060/4885RAB9A 2780/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 GAA 2083/4885ATM 1915/4885RAB9A 985/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 GAA 993/4885ATM 2555/4885RAB9A 3436/4885
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 GAA 943/4885ATM 1489/4885RAB9A 2982/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 GAA 1411/4885ATM 2062/4885RAB9A 1060/4885

“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.