SCHEMBL4603448

SCHEMBL4603448

CCc1ccccc1NC(=O)Cc1ccc(Oc2cc(C#N)cc(C#N)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
HSP90AA1 P07900 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
RORC P51449 2/20 0.43
GAA P10253 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KCNQ2 O43526 1/20 0.39
PDE5A O76074 2/20 0.39
ROCK2 O75116 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2638870 0.92 LMNA (0.44) ALDH1A1LMNAHSP90AA1NPSR1POLB
SCHEMBL4604847 0.89 HPGD (0.47) ALDH1A1LMNARORCGAAMAPT
SCHEMBL4603118 0.88 MAPT (0.54) ALDH1A1POLBRORCGAAMAPT
SCHEMBL4603769 0.88 ALDH1A1 (0.51) ALDH1A1RORCGAAMAPTHPGD
SCHEMBL4603542 0.87 MEN1 (0.53) ALDH1A1LMNARORCGAAMAPT
SCHEMBL4605577 0.87 KMT2A (0.44) ALDH1A1POLBRORCGAAMAPT
SCHEMBL4602690 0.87 RORC (0.48) ALDH1A1RORCGAAMAPTHPGD
SCHEMBL2638866 0.86 ALDH1A1 (0.47) ALDH1A1POLBRORCGAAMAPT
SCHEMBL4602575 0.85 ALDH1A1 (0.46) ALDH1A1LMNAPOLBRORCMAPT
SCHEMBL2638268 0.82 ALDH1A1 (0.44) ALDH1A1POLBRORCGAAMAPT

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 196/4885LMNA 3776/4885HSP90AA1 2699/4885

“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.