SCHEMBL5281969

SCHEMBL5281969

CC([O])Oc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
CYP3A4 P08684 1/20 0.39
GSK3B P49841 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
APOBEC3G Q9HC16 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
SCHEMBL27945113 0.83 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL29388428 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL3645535 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL826368 0.83 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ELMNA
Formaldehyde SCHEMBL28133646 0.82 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL28271123 0.80 KDM4E (0.38) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL23701489 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL4632146 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL11001241 0.79 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA
SCHEMBL12846287 0.79 KDM4E (0.41) SMN1; SMN2NPC1RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458395-B1 MEDICAL USE OF GSK3-INHIBITING OXINDOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-11-28 EP disclosed
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient TEIJIN PHARMA LIMITED (JP) 2007-02-08 US disclosed
EP-1666067-A1 DRUG CONTAINING CHYMASE INHIBITOR AS THE ACTIVE INGREDIENT Teijin Pharma Limited (JP) 2006-06-07 EP disclosed
US-20050075351-A1 Use ASTRAZENECA AB (SE) 2005-04-07 US disclosed
EP-1458395-A1 NEW USE AstraZeneca AB (SE) 2004-09-22 EP disclosed
WO-2003053444-A1 NEW USE ASTRAZENECA AB (SE) 2003-07-03 WO disclosed
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed
US-H1893-H REACTING A HALOKETONE COMPOUND OR SALT WITH AN OXIDOREDUCTASE ENZYME SUPPLYING MICROORGANISM OR OXIDOREDUCTASE ENZYME CONTAINING MATERIAL OBTAINED FROM THE MICROORGANISM, CATALYZES THE REDUCTION OF HALOKETONE TO FORM HALOHYDROXIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-03 US disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed
US-5776933-A Method of inhibiting protease E. R. SQUIBB & SONS, INC. (US) 1998-07-07 US disclosed
US-5760036-A ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS E. R. SQUIBB & SONS, INC. (US) 1998-06-02 US disclosed
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
WO-1995035295-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1995-12-28 WO disclosed
EP-0580402-A2 Aminediol protease inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-01-26 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 (2 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-20050075351-A1 Use GSK3A, GSK3B, PYGB SMN1; SMN2 2004/4885NPC1 1766/4885RAB9A 3791/4885
US-20070032466-A1 Drug containing chymase inhibitor as the active ingredient REN, SERPINB1, CMA1 SMN1; SMN2 774/4885NPC1 870/4885RAB9A 1216/4885

“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.