SCHEMBL16212142

SCHEMBL16212142

O/N=C1\CCC1c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 5/20 0.36
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
HRH3 Q9Y5N1 4/20 0.36
TP53 P04637 2/20 0.36
RECQL P46063 1/20 0.36
SLC9A1 P19634 1/20 0.36
DPP4 P27487 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRA1A P35348 1/20 0.34
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16212143 1.00 KDM4E (0.40) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL16212134 0.79 GAA (0.44) HTR2AHTR2CHTR2BTP53HTT
SCHEMBL16212132 0.79 GAA (0.44) HTR2AHTR2CHTR2BTP53HTT
SCHEMBL8102775 0.77 HPGD (0.40) KDM4EALDH1A1HTR2AHTR2CHTR2B
SCHEMBL25377395 0.75 GAA (0.45) KDM4EALDH1A1HTR2CHTR2BTP53
SCHEMBL31227382 0.75 GAA (0.45) KDM4EALDH1A1HTR2CHTR2BTP53
SCHEMBL16212174 0.75 GAA (0.45) KDM4EALDH1A1HTR2CHTR2BTP53
SCHEMBL16212172 0.75 GAA (0.45) KDM4EALDH1A1HTR2CHTR2BTP53
SCHEMBL16392349 0.73 ALDH1A1 (0.44) KDM4EALDH1A1TP53HTTMEN1
SCHEMBL27632012 0.72 HTR2A (0.50) HTR2AHTR2CHTR2BHRH3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER ANIMAL HEALTH GMBH (DE) 2016-03-17 US disclosed
EP-2991487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-03-09 EP disclosed
WO-2014177487-A9 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-23 WO disclosed
WO-2014177487-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2014-11-06 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-20160075653-A1 NEMATICIDAL N-(PHENYLCYCLOALKYL)CARBOXAMIDES AND N-(PHENYLCYCLOALKYL)THIOCARBOXAMIDES DNPH1, AADAC, NAAA KDM4E 2020/4885ALDH1A1 3851/4885HTR2A 1908/4885

“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.