SCHEMBL2638588

SCHEMBL2638588

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(Br)cc(Br)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.38
BACE1 P56817 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
RECQL P46063 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL2639370 0.92 MEN1 (0.51) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638181 0.90 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638875 0.85 MEN1 (0.52) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2640097 0.84 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638403 0.82 ALDH1A1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2639714 0.82 HPGD (0.50) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13492097 0.80 CA1 (0.52) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL2639288 0.79 ALDH1A1 (0.44) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL2638392 0.79 ALDH1A1 (0.43) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13492114 0.78 MAPT (0.38) KMT2AALDH1A1MAPTLMNAL3MBTL1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4810529-B2 2011-11-09 JP claimed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP claimed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP claimed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO claimed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP 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 (3 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 MEN1 2696/4885KMT2A 1999/4885HPGD 3033/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 MEN1 2942/4885KMT2A 1222/4885HPGD 2863/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 MEN1 4577/4885KMT2A 759/4885HPGD 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.