SCHEMBL4603769

SCHEMBL4603769

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
GAA P10253 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RORC P51449 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNQ2 O43526 1/20 0.41

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
SCHEMBL2638393 0.92 ALDH1A1 (0.46) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4604847 0.89 HPGD (0.47) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4603542 0.89 MEN1 (0.53) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4603118 0.88 MAPT (0.54) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4603448 0.88 ALDH1A1 (0.47) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4605577 0.86 KMT2A (0.44) ALDH1A1GAAHPGDMAPTSMN1; SMN2
SCHEMBL4602690 0.86 RORC (0.48) ALDH1A1GAAHPGDMAPTNPC1
SCHEMBL4602575 0.85 ALDH1A1 (0.46) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL2638867 0.83 ALDH1A1 (0.50) ALDH1A1GAAHPGDNPC1RAB9A
SCHEMBL4606459 0.83 ALDH1A1 (0.53) ALDH1A1GAAMAPTNPC1RAB9A

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 ALDH1A1 196/4885GAA 943/4885HPGD 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.