Sugi Predict

Sugi Predict / Compounds / SCHEMBL1345113

SCHEMBL1345113

SCHEMBL1345113

O=C(CC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ HPGD P15428 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ PTPN1 P18031 3/20 0.53
▸ ERCC5 P28715 2/20 0.53
▸ FEN1 P39748 2/20 0.53

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
SCHEMBL30966332 0.85 ALDH1A1 (0.68) KMT2AMEN1HPGDMAPTTDP1
SCHEMBL11541242 0.81 ALDH1A1 (0.63) KMT2AMEN1HPGDMAPTTDP1
SCHEMBL28529919 0.81 KMT2A (0.58) KMT2AMEN1HPGDMAPTCYP3A4
Dibenzoylmethane SCHEMBL10356288 0.78 MEN1 (1.00) KMT2AMEN1HPGDMAPTCYP3A4
Dibenzoylmethane SCHEMBL1704711 0.78 MEN1 (1.00) KMT2AMEN1HPGDMAPTCYP3A4
Dibenzoylmethane SCHEMBL39582 0.78 MEN1 (1.00) KMT2AMEN1HPGDMAPTCYP3A4
SCHEMBL1199754 0.78 KMT2A (0.64) KMT2AMEN1HPGDMAPTCYP3A4
SCHEMBL4619345 0.78 ALDH1A1 (0.59) KMT2AMEN1MAPTTDP1SMN1; SMN2
SCHEMBL830792 0.78 ALDH1A1 (0.59) KMT2AMAPTCYP3A4TDP1SMN1; SMN2
SCHEMBL11431909 0.76 NPSR1 (0.57) KMT2AMEN1TDP1ALDH1A1NPC1

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 42 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
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
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 — — US disclosed
EP-2142520-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-13 — — EP disclosed
EP-2134711-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-12-23 — — EP disclosed
US-20070088015-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
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
CN-1695089-A Silver halide color photographic light-sensitive material KONICAMINOLTA PHOTO IND (JP) 2005-11-09 — — CN 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
JP-2000319236-A NEW FLUORESCENT COMPOUND AND ITS COMPLEX DAIDEN CO LTD 2000-11-21 — — JP 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 KMT2A 1504/4885MEN1 4051/4885HPGD 1230/4885
US-20070088015-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, REV1 KMT2A 1271/4885MEN1 4670/4885HPGD 522/4885
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 KMT2A 1999/4885MEN1 2696/4885HPGD 3033/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 KMT2A 1222/4885MEN1 2942/4885HPGD 2863/4885
US-20110059975-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RPIA, ADORA2B, NQO2 KMT2A 578/4885MEN1 4783/4885HPGD 1118/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 KMT2A 759/4885MEN1 4577/4885HPGD 2902/4885

“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.