SCHEMBL314336

SCHEMBL314336

CN(C)C(=O)Sc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.45
PARP10 Q53GL7 1/20 0.44
NPY5R Q15761 1/20 0.44
SRD5A2 P31213 1/20 0.43
MGLL Q99685 2/20 0.43
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 3/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
TSPO P30536 1/20 0.41

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
SCHEMBL10187457 0.85 HSD17B1 (0.54) SMN1; SMN2ALDH1A1POLBHPGDLMNA
SCHEMBL7776861 0.83 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL12717371 0.83 FFAR1 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL20244667 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL14727899 0.81 HPGD (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL11338721 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL8164406 0.80 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1NPC1HPGDLMNA
SCHEMBL10187443 0.80 PARP10 (0.48) SMN1; SMN2ALDH1A1RAB9AHPGDPARP10
SCHEMBL10238688 0.79 KDM4E (0.53) SMN1; SMN2ALDH1A1LTA4H
SCHEMBL28861673 0.77 HPGD (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-20 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-7144917-B2 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY (US) 2006-12-05 US disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 WO disclosed
US-20040127478-A1 Inhibitors of matrix metalloproteinases WAYNE STATE UNIVERSITY 2004-07-01 US disclosed
US-6703415-B2 EPOXIDES OR THIIRANE DERIVATIVES; TREATING OR PREVENTING CANCER, ANGIOGENESIS, ARTHRITIS, CONNECTIVE TISSUE DISEASE, CARDIOVASCULAR DISEASE, INFLAMMATION OR AUTOIMMUNE DISEASE; ANTIFERTILITY AGENTS WAYNE STATE UNIVERSITY 2004-03-09 US disclosed
US-6583299-B1 Matrix metalloprotease inhibitors; nonsuppression of tumor necrosis factor production G.D. SEARLE & CO. 2003-06-24 US disclosed
EP-1309579-A1 INHIBITORS OF MATRIX METALLOPROTEINASES BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 2003-05-14 EP disclosed
US-20020037916-A1 Inhibitors of matrix metallaproteinases UNITED STATES GOVERNMENT SECRETARY OF THE ARMY, THE 2002-03-28 US disclosed
WO-2001092244-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2001-12-06 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-20020037916-A1 Inhibitors of matrix metallaproteinases MMP12, MMP1, MMP3 SMN1; SMN2 4200/4885ALDH1A1 1067/4885NPC1 4029/4885
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 SMN1; SMN2 2133/4885ALDH1A1 333/4885NPC1 1457/4885
US-20090209615-A1 INHIBITORS OF MATRIX METALLOPROTEINASES TO TREAT NEUROLOGICAL DISORDERS MMP9, MMP10, MMP17 SMN1; SMN2 116/4885ALDH1A1 288/4885NPC1 549/4885
US-20040127478-A1 Inhibitors of matrix metalloproteinases MMP1, MMP9, MMP3 SMN1; SMN2 4306/4885ALDH1A1 1774/4885NPC1 3944/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 SMN1; SMN2 1825/4885ALDH1A1 403/4885NPC1 1018/4885

“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.