SCHEMBL13149233

SCHEMBL13149233

O=C(c1cccnc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.71
SLC6A7 Q99884 8/20 0.66
MEN1 O00255 1/20 0.65
MAPT P10636 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.63
POLB P06746 1/20 0.63
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.62
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL9763711 0.87 PKM (0.74) KDM4EMEN1MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL1596692 0.86 PKM (0.72) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL12933024 0.86 MAPT (0.56) KDM4ESLC6A7MEN1MAPTKMT2A
SCHEMBL30165123 0.86 SLC6A7 (0.60) KDM4ESLC6A7MEN1MAPTKMT2A
SCHEMBL3585560 0.85 SLC6A7 (0.78) SLC6A7L3MBTL1ALDH1A1TSHR
SCHEMBL11078057 0.83 SLC6A7 (0.70) KDM4ESLC6A7MEN1MAPTKMT2A
SCHEMBL6652874 0.83 PKM (0.72) KDM4ESLC6A7MEN1MAPTKMT2A
SCHEMBL6651764 0.83 ALDH1A1 (0.59) KDM4ESLC6A7MEN1MAPTKMT2A
SCHEMBL21987023 0.82 MAPT (0.69) KDM4ESLC6A7MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL6656739 0.82 ALDH1A1 (0.58) KDM4ESLC6A7MEN1MAPTKMT2A

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 KDM4E 280/4885SLC6A7 299/4885MEN1 3085/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885SLC6A7 299/4885MEN1 3085/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885SLC6A7 299/4885MEN1 3085/4885

“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.