SCHEMBL5377375

SCHEMBL5377375

COc1ccc(Cc2c(C)nc(C)[nH]c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ERAP1 Q9NZ08 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 2/20 0.51
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ DCTPP1 Q9H773 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL2610116 0.81 LMNA (0.64) SMN1; SMN2MEN1KMT2ANPSR1POLB
SCHEMBL9235475 0.81 AR (0.59) SMN1; SMN2KMT2ANPSR1GAALMNA
SCHEMBL20828282 0.78 MEN1 (0.75) SMN1; SMN2MEN1KMT2APOLBGAA
SCHEMBL5381325 0.77 LMNA (0.50) SMN1; SMN2MEN1KMT2ANPSR1POLB
SCHEMBL5377402 0.75 ERAP1 (0.55) SMN1; SMN2MEN1KMT2ANPSR1ERAP1
SCHEMBL5372641 0.73 ERAP1 (0.53) SMN1; SMN2MEN1KMT2ANPSR1ERAP1
SCHEMBL2254318 0.72 ERAP1 (0.51) SMN1; SMN2KMT2ANPSR1ERAP1POLB
SCHEMBL10966990 0.71 LTA4H (0.57) SMN1; SMN2MEN1KMT2ANPSR1ERAP1
SCHEMBL853400 0.71 NPSR1 (1.00) SMN1; SMN2MEN1KMT2ANPSR1LMNA
Bicarbonate SCHEMBL11298242 0.71 NPSR1 (0.58) SMN1; SMN2MEN1KMT2ANPSR1POLB

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 SMN1; SMN2 3729/4885MEN1 2322/4885KMT2A 3588/4885

“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.

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