SCHEMBL4604671

SCHEMBL4604671

N#Cc1cc(Cl)cc(Oc2ccc(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA12 O43570 5/20 0.53
CA9 Q16790 5/20 0.53
P2RX4 Q99571 9/20 0.49
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47
P2RX3 P56373 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
P2RX7 Q99572 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45

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
SCHEMBL4604312 0.95 CA1 (0.54) CA1CA2CA12CA9P2RX4
SCHEMBL2638407 0.93 CA1 (0.53) CA1CA2CA12CA9P2RX4
SCHEMBL4602886 0.92 CA1 (0.53) CA1CA2CA12CA9P2RX4
SCHEMBL2639938 0.90 CA1 (0.53) CA1CA2CA12CA9P2RX4
SCHEMBL4602268 0.90 CA1 (0.53) CA1CA2CA12CA9P2RX4
SCHEMBL4603625 0.89 CA1 (0.58) CA1CA2CA12CA9MEN1
SCHEMBL2638397 0.89 CA1 (0.51) CA1CA2CA12CA9P2RX4
SCHEMBL2640174 0.88 CA1 (0.54) CA1CA2CA12CA9P2RX4
SCHEMBL4603727 0.87 CA1 (0.49) CA1CA2CA12CA9P2RX4
SCHEMBL4602754 0.85 CA1 (0.53) CA1CA2CA12CA9P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP claimed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO claimed
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 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 (1 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-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 CA1 4746/4885CA2 4750/4885CA12 4866/4885

“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.