SCHEMBL14405342

SCHEMBL14405342

COc1cc(C)cc(Cl)c1C1C(=O)N2CCN(OC)CCN2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
PPOX P50336 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 3/20 0.33
USP2 O75604 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK1 P28482 3/20 0.32
HSP90AA1 P07900 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
CCR6 P51684 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL14405344 0.87 MAPT (0.35) KMT2AMAPTMCOLN3GAAALDH1A1
SCHEMBL14405346 0.85 KDM4E (0.32) KMT2APOLBGAAALDH1A1
SCHEMBL16562427 0.82 PPOX (0.31) KMT2APPOX
SCHEMBL14405336 0.82 KMT2A (0.36) KMT2APOLBMAPTGAAALDH1A1
SCHEMBL14335735 0.79 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL14335924 0.77 USP2 (0.31) ALDH1A1USP2
SCHEMBL14335449 0.76
SCHEMBL16562622 0.74
SCHEMBL16592316 0.74
SCHEMBL14405347 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723723-B1 N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-01 EP disclosed
US-9282743-B2 Chemical compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-03-15 US disclosed
US-20140148339-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-29 US disclosed
US-20140148339-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-29 US disclosed
WO-2012175666-A1 N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-27 WO 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-20140148339-A1 CHEMICAL COMPOUNDS DDT, CYP1B1, CYP1A1 KMT2A 1487/4885POLB 4536/4885MAPT 3826/4885

“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.