SCHEMBL2545947

SCHEMBL2545947

CCOc1cc(CO)cc(OCC)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.39
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 3/20 0.38
ACHE P22303 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
MAPK8 P45983 1/20 0.35
ACSS2 Q9NR19 1/20 0.35
THRB P10828 1/20 0.34
ADORA1 P30542 1/20 0.34
CREBBP Q92793 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL19330413 0.92 ALDH1A1 (0.39) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL20776991 0.88 SMN1; SMN2 (0.36) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL19330246 0.88 SMN1; SMN2 (0.38) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL19330128 0.78 SMN1; SMN2 (0.42) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL2940362 0.78 RECQL (0.50) NPC1RAB9AMAPTS1PR1S1PR3
SCHEMBL19330247 0.77 ALDH1A1 (0.38) ALDH1A1MAPTEDNRBEDNRATHRB
SCHEMBL2547333 0.77 ALDH1A1 (0.47) SMN1; SMN2NPC1ALDH1A1RAB9AMAPT
SCHEMBL4469982 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL3822083 0.75 NQO1 (0.48) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A
SCHEMBL7464556 0.75 ALDH1A1 (0.55) SMN1; SMN2NPC1ALDH1A1MAPK1RAB9A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069514-B Antibacterial compound and application thereof 结核病药物开发全球联盟公司 2023-12-29 CN disclosed
EP-4148053-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF The Global Alliance for TB Drug Development, Inc. (US) 2023-03-15 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
EP-3426255-B1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2022-11-30 EP disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-10981891-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2021-04-20 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2020-02-06 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
US-10508097-B2 Antibacterial compounds and uses thereof THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2019-12-17 US disclosed
WO-2017155909-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-09-14 WO disclosed
WO-2017155909-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-09-14 WO disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
EP-1833816-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Novartis AG (CH) 2007-09-19 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO 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 (5 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-10981891-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 SMN1; SMN2 3620/4885NPC1 534/4885ALDH1A1 518/4885
US-20200039955-A1 ANTIBACTERIAL COMPOUNDS AND USES THEREOF CFTR, SQOR, NQO1 SMN1; SMN2 3620/4885NPC1 534/4885ALDH1A1 518/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC SMN1; SMN2 2243/4885NPC1 2742/4885ALDH1A1 21/4885
US-10508097-B2 Antibacterial compounds and uses thereof CFTR, SQOR, NQO1 SMN1; SMN2 3620/4885NPC1 534/4885ALDH1A1 518/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO SMN1; SMN2 2488/4885NPC1 1874/4885ALDH1A1 36/4885

“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.