SCHEMBL4605577

SCHEMBL4605577

N#Cc1cc(C#N)cc(Oc2ccc(CC(=O)Nc3ccccc3C(F)(F)F)cc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
GAA P10253 6/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
RORC P51449 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.40
P2RX4 Q99571 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2638662 0.93 MAPT (0.43) KMT2AGAAKDM4EMAPTPOLB
SCHEMBL4603448 0.87 ALDH1A1 (0.47) KMT2AGAAMAPTPOLBALDH1A1
SCHEMBL4603769 0.86 ALDH1A1 (0.51) KMT2AGAAKDM4EMAPTALDH1A1
SCHEMBL4604847 0.85 HPGD (0.47) KMT2AGAAMAPTALDH1A1MEN1
SCHEMBL4603542 0.85 MEN1 (0.53) KMT2AGAAKDM4EMAPTALDH1A1
SCHEMBL4603118 0.85 MAPT (0.54) KMT2AGAAMAPTPOLBALDH1A1
SCHEMBL4602690 0.83 RORC (0.48) GAAMAPTALDH1A1RORCHPGD
SCHEMBL4602575 0.82 ALDH1A1 (0.46) KMT2AMAPTPOLBALDH1A1MEN1
SCHEMBL2638867 0.80 ALDH1A1 (0.50) KMT2AGAAPOLBALDH1A1MEN1
SCHEMBL4606459 0.80 ALDH1A1 (0.53) KMT2AGAAKDM4EMAPTPOLB

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 KMT2A 989/4885GAA 943/4885KDM4E 685/4885

“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.