SCHEMBL5761072

SCHEMBL5761072

COC(=O)CN(C)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
ACHE P22303 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
BCHE P06276 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL17083306 0.90 TAAR1 (0.51) KDM4EALDH1A1RAB9AACHEMEN1
SCHEMBL3364898 0.85 NPC1 (0.52) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL17083318 0.84 MEN1 (0.49) KDM4EALDH1A1ACHEMEN1KMT2A
SCHEMBL7611509 0.84 NPC1 (0.50) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL5522971 0.83 MEN1 (0.56) KDM4EALDH1A1RAB9ANPC1ACHE
SCHEMBL16590355 0.83 KMT2A (0.53) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL28327295 0.83 ALDH1A1 (0.47) KDM4EALDH1A1RAB9ANPC1ACHE
SCHEMBL5205870 0.83 ALDH1A1 (0.41) KDM4EALDH1A1RAB9AACHEMEN1
SCHEMBL8337648 0.83 ALDH1A1 (0.57) KDM4EALDH1A1RAB9ANPC1ACHE
SCHEMBL3911099 0.82 HSD17B2 (0.51) KDM4EALDH1A1ACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO disclosed
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 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 (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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 KDM4E 128/4885ALDH1A1 1939/4885RAB9A 5/4885
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 KDM4E 2752/4885ALDH1A1 586/4885RAB9A 1492/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 KDM4E 2752/4885ALDH1A1 586/4885RAB9A 1492/4885

“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.