SCHEMBL16005488

SCHEMBL16005488

CCOC(=O)c1ccc(N)cc1OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
LMNA P02545 2/20 0.50
MAOA P21397 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.49
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 6/20 0.48
GAA P10253 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46

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
SCHEMBL10334181 0.88 LMNA (0.50) CYP1A2LMNAMAOACYP3A4CYP2D6
SCHEMBL755147 0.84 ALDH1A1 (0.63) CYP1A2LMNAMAOACYP3A4CYP2D6
SCHEMBL4001016 0.84 CYP1A2 (0.58) CYP1A2LMNAMAOACYP3A4CYP2D6
Acetic Acid SCHEMBL5925497 0.84 ALDH1A1 (0.62) CYP1A2LMNAMAOACYP3A4CYP2D6
SCHEMBL15055753 0.83 GAA (0.60) CYP1A2LMNAALDH1A1HSD17B10GAA
SCHEMBL9318408 0.83 ALDH1A1 (0.47) CYP1A2LMNACYP3A4CYP2D6SCN1A
SCHEMBL8717028 0.82 CYP1A2 (0.47) CYP1A2LMNAMAOACYP3A4CYP2D6
SCHEMBL15055656 0.82 ALDH1A1 (0.50) CYP1A2LMNACYP3A4ALDH1A1HSD17B10
SCHEMBL6693935 0.82 CA12 (0.46) CYP1A2LMNACYP3A4ALDH1A1HSD17B10
SCHEMBL6693909 0.82 TSHR (0.51) CYP1A2LMNAALDH1A1HSD17B10RAB9A

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
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP disclosed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US disclosed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 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-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 CYP1A2 940/4885LMNA 809/4885MAOA 134/4885

“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.