SCHEMBL4602690

SCHEMBL4602690

CC(C)c1ccccc1NC(=O)Cc1ccc(Oc2cc(C#N)cc(C#N)c2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.48
THRB P10828 3/20 0.45
LPAR1 Q92633 5/20 0.42
P2RX7 Q99572 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PDK2 Q15119 1/20 0.40
GAA P10253 2/20 0.39
HPGD P15428 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
SCHEMBL2639439 0.93 RORC (0.48) RORCTHRBLPAR1P2RX7ALDH1A1
SCHEMBL4604847 0.87 HPGD (0.47) RORCP2RX7MAPTNPC1RAB9A
SCHEMBL4603118 0.87 MAPT (0.54) RORCP2RX7MAPTNPC1RAB9A
SCHEMBL4603448 0.87 ALDH1A1 (0.47) RORCP2RX7MAPTNPC1RAB9A
SCHEMBL4603769 0.86 ALDH1A1 (0.51) RORCMAPTNPC1RAB9AALDH1A1
SCHEMBL4603542 0.85 MEN1 (0.53) RORCMAPTNPC1RAB9AMAPK10
SCHEMBL4602575 0.84 ALDH1A1 (0.46) RORCMAPTRAB9AALDH1A1HPGD
SCHEMBL4605577 0.83 KMT2A (0.44) RORCMAPTALDH1A1GAAHPGD
SCHEMBL2638867 0.80 ALDH1A1 (0.50) RORCP2RX7NPC1RAB9AALDH1A1
SCHEMBL4606459 0.80 ALDH1A1 (0.53) RORCMAPTNPC1RAB9AALDH1A1

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 RORC 1541/4885THRB 2986/4885LPAR1 1478/4885

“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.