Sugi Predict

Sugi Predict / Compounds / SCHEMBL16005162

SCHEMBL16005162

SCHEMBL16005162

COc1cc(NCc2cc(Cl)cc(Cl)c2O)ccc1C(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ SHBG P04278 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL16005092 0.93 MAPT (0.49) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16146375 0.93 MAPT (0.44) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16146142 0.92 MAPT (0.43) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005098 0.92 MAPT (0.46) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005285 0.91 MAPT (0.41) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005430 0.90 MAPT (0.40) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005545 0.90 MAPT (0.46) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005019 0.90 MAPT (0.42) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005351 0.90 MAPT (0.39) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16005753 0.89 MAPT (0.40) MAPTKMT2AMEN1MAPK1KDM4E

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 8 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 claimed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 — — US claimed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 — — US claimed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 — — EP claimed
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 MAPT 887/4885KMT2A 2744/4885MEN1 4315/4885

“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.