SCHEMBL4603542

SCHEMBL4603542

N#Cc1cc(C#N)cc(Oc2ccc(CC(=O)Nc3ccccc3Br)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RORC P51449 1/20 0.42
GAA P10253 3/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNQ2 O43526 1/20 0.40
PNLIP P16233 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL4603769 0.89 ALDH1A1 (0.51) MEN1KMT2AHPGDMAPTRORC
SCHEMBL4604847 0.88 HPGD (0.47) MEN1KMT2AHPGDMAPTRORC
SCHEMBL4603448 0.87 ALDH1A1 (0.47) MEN1KMT2AHPGDMAPTRORC
SCHEMBL4603118 0.87 MAPT (0.54) MEN1KMT2AHPGDMAPTRORC
SCHEMBL4605577 0.85 KMT2A (0.44) MEN1KMT2AHPGDMAPTCYP1A2
SCHEMBL4602690 0.85 RORC (0.48) HPGDMAPTRORCGAAALDH1A1
SCHEMBL4602585 0.85 CA1 (0.58) MEN1KMT2A
SCHEMBL4602575 0.84 ALDH1A1 (0.46) MEN1KMT2AHPGDMAPTCYP1A2
SCHEMBL2638867 0.82 ALDH1A1 (0.50) MEN1KMT2AHPGDRORCGAA
SCHEMBL4606459 0.82 ALDH1A1 (0.53) MEN1KMT2AMAPTRORCGAA

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 MEN1 4639/4885KMT2A 989/4885HPGD 1052/4885

“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.