SCHEMBL13828748

SCHEMBL13828748

CNC(=O)c1cc(F)c(OC)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
LMNA P02545 2/20 0.49
PLK1 P53350 2/20 0.48
TUBB1 Q9H4B7 3/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL6578806 0.83 ALDH1A1 (0.64) ALDH1A1LMNATUBB1HDAC1HDAC6
SCHEMBL8465292 0.80 KDM4E (0.55) ALDH1A1LMNATUBB1GAAKDM4E
SCHEMBL7981473 0.79 CES2 (0.56) ALDH1A1HPGDPLK1HDAC1HDAC6
SCHEMBL4143482 0.78 ALDH1A1 (0.77) ALDH1A1HPGDLMNAPLK1MAPK1
SCHEMBL1003340 0.78 ALDH1A1 (0.57) ALDH1A1HPGDLMNAPLK1TUBB1
SCHEMBL507133 0.78 LMNA (0.50) ALDH1A1LMNATUBB1HTTMAPK1
SCHEMBL1458628 0.78 LMNA (0.58) ALDH1A1HPGDLMNATUBB1KDM4E
SCHEMBL1004064 0.78 HDAC6 (0.70) ALDH1A1HPGDPLK1HDAC1HDAC6
SCHEMBL3129576 0.78 MAPK1 (0.47) ALDH1A1LMNATUBB1HDAC1HDAC6
SCHEMBL3138340 0.78 MAPK1 (0.47) ALDH1A1LMNATUBB1HDAC1HDAC6

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-8530467-B2 Benzoimidazole compounds and uses thereof NEOMED INSTITUTE (CA) 2013-09-10 US disclosed
US-20120289504-A1 Benzoimidazole Compounds and Uses Thereof ASTRAZENECA AB (SE) 2012-11-15 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 (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-20120289504-A1 Benzoimidazole Compounds and Uses Thereof TPMT, BRD4, CYP3A4 ALDH1A1 441/4885HPGD 1481/4885LMNA 2661/4885

“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.