SCHEMBL13435320

SCHEMBL13435320

CCNC(=O)c1cc(C)c(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPK14 Q16539 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
BRD4 O60885 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 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
SCHEMBL14099195 0.89 HDAC1 (0.53) MEN1KMT2ARXFP1MAPK14SMN1; SMN2
SCHEMBL13293399 0.88 ESR1 (0.46) MEN1KMT2ARXFP1MAPK14SMN1; SMN2
SCHEMBL9979308 0.86 SMN1; SMN2 (0.48) MEN1KMT2ARXFP1SMN1; SMN2L3MBTL1
SCHEMBL10073270 0.84 NR1H4 (0.44) MEN1KMT2ARXFP1MAPK14SMN1; SMN2
SCHEMBL13293378 0.83 TAS1R3 (0.52) MEN1KMT2ARXFP1SMN1; SMN2L3MBTL1
SCHEMBL13681508 0.83 BRD4 (0.40) MEN1KMT2ARXFP1MAPK14SMN1; SMN2
SCHEMBL1003870 0.83 GAA (0.54) MEN1KMT2ARXFP1SMN1; SMN2L3MBTL1
SCHEMBL21241106 0.82 HDAC6 (0.63) MEN1KMT2ARXFP1MAPK14SMN1; SMN2
SCHEMBL4151138 0.82 NR1H4 (0.61) MEN1KMT2AMAPK14SMN1; SMN2MAPT
SCHEMBL11642867 0.79 L3MBTL1 (0.46) MEN1KMT2ARXFP1MAPK14SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687532-B2 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of I.A. rheumatoid arthritis GLAXOSMITHKLINE LLC (US) 2010-03-30 US disclosed
US-7585861-B2 HIV replication inhibitors; for (multi)drug resistant HIV infection JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-08 US disclosed
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis GLAXOSMITHKLINE LLC 2007-06-21 US disclosed
US-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection BMO BANK N.A., AS ADMINISTRATIVE AGENT 2007-02-15 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 (2 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-20070037811-A1 HIV replication inhibitors; for (multi)drug resistant HIV infection REV1, CCNI, MCM6 MEN1 4127/4885KMT2A 1659/4885RXFP1 4572/4885
US-20070142372-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthritis CNKSR1, MAPK1, MAPK7 MEN1 4697/4885KMT2A 3665/4885RXFP1 2782/4885

“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.