SCHEMBL2640124

SCHEMBL2640124

COC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Oc3cc(C#N)cc(C#N)c3)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RORC P51449 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
HTT P42858 1/20 0.39
CHEK1 O14757 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 6/20 0.39

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
SCHEMBL4604063 0.93 MRGPRX4 (0.45) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3837731 0.90 POLB (0.41) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2639066 0.89 MEN1 (0.49) SMN1; SMN2RORCLMNAPOLBHTT
SCHEMBL4604641 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MRGPRX4RORCLMNAPOLB
SCHEMBL2638867 0.84 ALDH1A1 (0.50) SMN1; SMN2RORCLMNAPOLBMEN1
SCHEMBL2638991 0.84 CA1 (0.49) CA12CA1CA2CA9RORC
SCHEMBL2639075 0.84 POLB (0.48) SMN1; SMN2LMNAPOLBHTTCHEK1
SCHEMBL2639083 0.83 SMN1; SMN2 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2638409 0.83 MEN1 (0.51) SMN1; SMN2RORCPOLBHTTMAPT
SCHEMBL2639077 0.82 HPGD (0.47) SMN1; SMN2RORCLMNAMEN1KMT2A

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 9 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-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 (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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 CA12 4403/4885CA1 4540/4885CA2 4665/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 CA12 4711/4885CA1 4673/4885CA2 4716/4885

“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.