SCHEMBL380994

SCHEMBL380994

COC(=O)c1ccc(CNCc2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.73
CA2 P00918 5/20 0.73
CA12 O43570 1/20 0.71
CA7 P43166 1/20 0.71
CA9 Q16790 1/20 0.71
CA14 Q9ULX7 1/20 0.71
NPC1 O15118 2/20 0.62
RAB9A P51151 1/20 0.62
HPGD P15428 3/20 0.60
LMNA P02545 2/20 0.60
LOXL2 Q9Y4K0 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55

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
SCHEMBL9016956 0.93 LMNA (0.68) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL15393160 0.91 LMNA (0.66) CA1CA2CA12CA7CA9
SCHEMBL15270421 0.89 CA1 (0.64) CA1CA2CA12CA7CA9
SCHEMBL3746846 0.86 SMN1; SMN2 (0.73) CA1CA2NPC1RAB9AHPGD
SCHEMBL3310683 0.85 LMNA (0.64) CA1CA2CA12CA7CA9
SCHEMBL8662716 0.85 CA1 (0.77) CA1CA2CA12CA7CA9
SCHEMBL12051728 0.85 CA1 (1.00) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL321534 0.84 CA1 (1.00) CA1CA2CA12CA7CA9
Methylparaben SCHEMBL4440 0.84 CA1 (1.00) CA1CA2CA12CA7CA9
SCHEMBL185028 0.84 MEN1 (0.61) CA1CA2NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CA1 1877/4885CA2 791/4885CA12 1736/4885

“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.