SCHEMBL13149337

SCHEMBL13149337

N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MAPK1 P28482 2/20 0.65
PKM P14618 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SIGMAR1 Q99720 1/20 0.64
LMNA P02545 3/20 0.64
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
FAAH O00519 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
HTT P42858 1/20 0.63
KCNA5 P22460 1/20 0.62

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
SCHEMBL13149174 0.86 LMNA (0.76) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL9645824 0.85 KDM4E (0.94) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL1019998 0.85 KDM4E (0.94) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL13149349 0.83 KDM4E (0.78) ALDH1A1KDM4EMAPK1MEN1KMT2A
SCHEMBL4486386 0.83 KDM4E (0.78) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL25041158 0.82 KDM4E (0.76) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL4515670 0.82 KDM4E (0.76) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL17696082 0.82 KDM4E (0.76) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL4516322 0.82 KDM4E (0.76) ALDH1A1KDM4EMAPK1PKMMEN1
SCHEMBL7474168 0.82 KDM4E (0.76) ALDH1A1KDM4EMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885KDM4E 280/4885MAPK1 2042/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885KDM4E 280/4885MAPK1 2042/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 ALDH1A1 641/4885KDM4E 280/4885MAPK1 2042/4885

“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.