SCHEMBL2176129

SCHEMBL2176129

Clc1cc(NC23CC4CC(CC(C4)C2)C3)ncn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTR3A P46098 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA1 P30542 1/20 0.33

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
SCHEMBL30041735 0.93 MEN1 (0.47) MEN1KMT2AEPHX2NPC1HTR3A
SCHEMBL26103878 0.93 MEN1 (0.47) MEN1KMT2AEPHX2NPC1HTR3A
SCHEMBL9084428 0.77 TSHR (0.38) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL9085242 0.75 TSHR (0.47) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL9084090 0.74 TSHR (0.41) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13977983 0.73 MEN1 (0.53) MEN1KMT2AEPHX2NPC1ALDH1A1
SCHEMBL9084932 0.70 TSHR (0.53) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL30182842 0.70 TSHR (0.41) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13570513 0.69 MEN1 (0.65) MEN1KMT2AEPHX2NPC1ALDH1A1
SCHEMBL9082719 0.69 ALDH1A1 (0.36) NPC1L3MBTL1ALDH1A1LMNATSHR

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-2519501-B1 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS UNIV WIEN TECH (AT) 2015-04-22 EP disclosed
US-8986994-B2 Substituted pyridines and pyrimidines TECHNISCHE UNIVERSITAET WIEN (AT) 2015-03-24 US disclosed
US-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES MEDIZINISCHE UNIVERSITAET WIEN (AT) 2012-11-22 US disclosed
EP-2519501-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES FOR THE PRODUCTION OF CARDIOMYOCYTE-LIKE CELLS Technische Universität Wien (AT) 2012-11-07 EP disclosed
WO-2011079343-A2 SUBSTITUTED PYRIDINES AND PYRIMIDINES TECHNISCHE UNIVERSITAET WIEN (AT) 2011-07-07 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-20120294835-A1 SUBSTITUTED PYRIDINES AND PYRIMIDINES TNNI3, TNNT2, PROX1 MEN1 4740/4885KMT2A 2502/4885EPHX2 1333/4885

“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.