SCHEMBL5382999

SCHEMBL5382999

Oc1ccnnc1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
KDM4E B2RXH2 2/20 0.43
IDH1 O75874 2/20 0.41
CALM1 P0DP23 1/20 0.41
PAX8 Q06710 1/20 0.39
ALOX5 P09917 1/20 0.39
PARP1 P09874 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 2/20 0.37
LTB4R Q15722 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
PRNP P04156 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
SCHEMBL8781506 0.78 CALM1 (0.42) BCL2BCL2L1CALM1PAX8PARP1
SCHEMBL29097522 0.77 CALM1 (0.41) KDM4ECALM1PARP1KDM5BHPGD
SCHEMBL28509588 0.77 ALDH1A1 (0.43) CALM1PARP1ALDH1A1CYP3A4LTB4R
SCHEMBL3819703 0.76 BCL2 (0.42) BCL2BCL2L1IDH1CALM1ALOX5
SCHEMBL1973913 0.74 KDM4E (0.68) BCL2BCL2L1KDM4EIDH1CALM1
SCHEMBL5394164 0.73 BCL2 (0.48) BCL2BCL2L1CALM1PAX8ALOX5
Hydrochloric Acid SCHEMBL31388648 0.73 KDM4E (0.71) BCL2BCL2L1KDM4EIDH1CALM1
SCHEMBL7640865 0.73 CALM1 (0.37) CALM1PARP1KDM5BHPGDALDH1A1
SCHEMBL5377610 0.68 KDM4E (0.46) BCL2BCL2L1KDM4EIDH1CALM1
SCHEMBL5226176 0.68 IDH1 (0.44) BCL2BCL2L1KDM4EIDH1CALM1

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
CN-100376592-C Nitrogen-containing heterocyclic derivatives, pharmaceutical compositions containing them, their pharmaceutical use and intermediates for their preparation KISSEI PHARMACEUTICAL (JP) 2008-03-26 CN disclosed
US-7271153-B2 Treating diseases associated with hyperglycemia such as diabetes; SGLT2 (sodium/glucose cotransporter 2) inhibitor; 3-(4-Ethylbenzyl)-2-(beta-D-glucopyranosyloxy)-4,6-dimethyl-pyridine for example KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-09-18 US disclosed
US-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-03-03 US disclosed
CN-1537114-A Nitrogenous heterocyclic derivative, medicinal composition containing the same, medicinal use thereof, and intermediate therefor ����ҩƷ��ҵ��ʽ���� 2004-10-13 CN disclosed
EP-1405859-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-04-07 EP 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-20050049203-A1 Nitrogenous heterocyclic derivative, medicinal composition containing the same, medical use thereof, and intermediate therefor GPR119, NPR3, SLC5A2 BCL2 3144/4885BCL2L1 3646/4885KDM4E 4219/4885

“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.