SCHEMBL2638866

SCHEMBL2638866

CCc1ccc(CC(=O)Nc2ccccc2Cl)cc1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RORC P51449 4/20 0.45
P2RX7 Q99572 1/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPM4 Q8TD43 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL2638268 0.95 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638867 0.90 ALDH1A1 (0.50) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638619 0.89 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL13492235 0.89 HPGD (0.47) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638870 0.88 LMNA (0.44) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2639288 0.87 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL4603448 0.86 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638392 0.86 ALDH1A1 (0.43) ALDH1A1HPGDMEN1KMT2ARORC
SCHEMBL2638916 0.84 P2RX7 (0.53) ALDH1A1HPGDMEN1KMT2AP2RX7
SCHEMBL2638227 0.83 LMNA (0.46) ALDH1A1HPGDKMT2ARORCP2RX7

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 14 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
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 ALDH1A1 261/4885HPGD 3033/4885MEN1 2696/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 ALDH1A1 428/4885HPGD 2863/4885MEN1 2942/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 ALDH1A1 2794/4885HPGD 2902/4885MEN1 4577/4885

“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.