SCHEMBL5116840

SCHEMBL5116840

O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(CI)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SETD2 Q9BYW2 2/20 0.53
MAPK14 Q16539 6/20 0.53
OPRK1 P41145 1/20 0.53
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
RPS6KA2 Q15349 1/20 0.52
KMO O15229 1/20 0.51
EPHX2 P34913 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PARP1 P09874 1/20 0.50
HIF1A Q16665 1/20 0.50
EPAS1 Q99814 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL6882558 0.89 AURKA (0.54) SMN1; SMN2MAPTHTTRAB9ASETD2
SCHEMBL6424561 0.84 KMO (0.63) SMN1; SMN2MAPTHTTRAB9ASETD2
SCHEMBL12764316 0.82 MAPT (0.65) SMN1; SMN2MAPTHTTRAB9ASETD2
SCHEMBL12764351 0.80 MAPT (0.62) SMN1; SMN2MAPTHTTRAB9ASETD2
SCHEMBL2979099 0.80 MAPK14 (0.65) RAB9ASETD2MAPK14
SCHEMBL14078239 0.79 MAPK14 (0.65) MAPTRAB9ASETD2MAPK14ALDH1A1
SCHEMBL27528931 0.79 NPC1 (0.74) SMN1; SMN2MAPTRAB9ASETD2MAPK14
SCHEMBL3527294 0.79 MAPK14 (0.62) RAB9ASETD2MAPK14
SCHEMBL27453736 0.77 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHTTRAB9AMAPK14
SCHEMBL3956530 0.77 MAPT (0.65) SMN1; SMN2MAPTHTTRAB9AKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425555-B2 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-09-16 US disclosed
US-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2006-04-27 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-20060089393-A1 Heteroaryl substituted biphenyl derivatives as p38 kinase inhibitors MAPK1, MAPK7, MAP3K1 SMN1; SMN2 2815/4885MAPT 2364/4885HTT 4611/4885

“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.