SCHEMBL281896

SCHEMBL281896

CNC(=O)c1cc(Cl)c2cc(OC)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
HPGDS O60760 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE3B Q13370 1/20 0.46
PLA2G2A P14555 3/20 0.45
DHODH Q02127 1/20 0.44
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
LMNA P02545 1/20 0.44
NQO2 P16083 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
PLK1 P53350 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL25277010 0.89 PDE3B (0.53) MTNR1AHPGDSKDM4EALDH1A1HPGD
SCHEMBL27685906 0.86 KDM4E (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL27773370 0.85 KDM4E (0.50) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6004248 0.83 GRM2 (0.54) HPGDSKDM4EALDH1A1POLBHPGD
SCHEMBL24915722 0.82 MTNR1A (0.47) MTNR1AHPGDSKDM4EALDH1A1POLB
SCHEMBL28156608 0.81 PLA2G2A (0.53) MTNR1AKDM4EALDH1A1PLA2G2ADHODH
SCHEMBL2652933 0.79 CTSL (0.61) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL25912335 0.75 DHODH (0.48) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL830265 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL29420513 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1POLBHPGDHSD17B10

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-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 EP disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 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 (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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 MTNR1A 3645/4885HPGDS 887/4885KDM4E 1618/4885

“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.