SCHEMBL4570474

SCHEMBL4570474

COc1cc(C)nc(O)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.39
HIF1A Q16665 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE2A O00408 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL401293 0.85 CYP1A2 (0.48) ALDH1A1CYP1A2KMT2AKDM4ERECQL
SCHEMBL28506559 0.83 CYP1A2 (0.47) ALDH1A1CYP1A2KMT2AKDM4ERECQL
SCHEMBL3109540 0.79 ALDH1A1 (0.42) ALDH1A1CYP1A2KDM4ERECQLSMN1; SMN2
SCHEMBL21603204 0.77 ALDH1A1 (0.42) ALDH1A1CYP1A2KMT2AMEN1HTT
SCHEMBL891790 0.77
SCHEMBL29450819 0.76 PDE2A (0.55) ALDH1A1CYP1A2KMT2AMEN1HTT
SCHEMBL7052100 0.76 PDE2A (0.55) ALDH1A1CYP1A2KMT2AMEN1HTT
SCHEMBL2633440 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2KDM4ERECQLSMN1; SMN2
Hydrochloric Acid SCHEMBL2845698 0.75 POLB (0.46) ALDH1A1KMT2AMEN1HTTKDM4E
SCHEMBL423189 0.74 LMNA (0.52) ALDH1A1CYP1A2KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447042-B2 Endoparasite control agent THE UNIVERSITY OF TOKYO (JP) 2016-09-20 US disclosed
US-20140088157-A1 ENDOPARASITE CONTROL AGENT NIHON NOHYAKU CO., LTD. (JP) 2014-03-27 US disclosed
US-8378114-B2 N-2-(hetero)arylethylcarboxamide derivative, and pest-controlling agent comprising the same NIHON NOHYAKU CO., LTD. (JP) 2013-02-19 US disclosed
US-8168638-B2 Pyrazinecarboxamide derivatives and plant disease controlling agents containing the same NIHON NOHYAKU CO., LTD. (JP) 2012-05-01 US disclosed
US-20110136831-A1 N-2-(Hetero)Arylethylcarboxamide Derivative, and Pest-Controlling Agent Comprising the Same NIHON NOHYAKU CO., LTD. (JP) 2011-06-09 US disclosed
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same NIHON NOHYAKU CO., LTD. (JP) 2009-09-17 US disclosed
US-4113860-A O-alkyl-O-[4-alkylpyrimidin(2)yl]-(thiono)-(thiol) phosphoric (phosphonic) acid esters and insecticidal, acaricidal and nematocidal compositions containing them BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 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-20140088157-A1 ENDOPARASITE CONTROL AGENT SI, NAAA, STOM ALDH1A1 3491/4885CYP1A2 1150/4885KMT2A 930/4885
US-20110136831-A1 N-2-(Hetero)Arylethylcarboxamide Derivative, and Pest-Controlling Agent Comprising the Same H1-2, CNPY2, H1-0 ALDH1A1 4470/4885CYP1A2 958/4885KMT2A 45/4885
US-20090233934-A1 Pyrazinecarboxamide Derivatives and Plant Disease Controlling Agents Containing the Same CBR3, CNPY2, AADAC ALDH1A1 3219/4885CYP1A2 1212/4885KMT2A 2030/4885

“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.