SCHEMBL313922

SCHEMBL313922

C=CCSc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
IDO1 P14902 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
APP P05067 1/20 0.41
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 2/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL10652156 0.95 MAPT (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL313315 0.86 HSPB1 (0.50) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL10528716 0.82 L3MBTL1 (0.46) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4921528 0.81 MAPT (0.49) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL943255 0.78 MAPT (0.53) MAPTKMT2AALDH1A1POLBCA12
SCHEMBL8755108 0.75 L3MBTL1 (0.41) KMT2ASMN1; SMN2ALDH1A1MEN1MAPK1
SCHEMBL74124 0.74 ALDH1A1 (0.56) MAPTKMT2AALDH1A1POLBIDO1
SCHEMBL15010829 0.74 MAPT (1.00) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8746689 0.74 ALDH1A1 (0.54) MAPTKMT2AALDH1A1POLBIDO1
SCHEMBL8746687 0.74 ALDH1A1 (0.64) MAPTKMT2AALDH1A1POLBIDO1

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
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-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
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 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 (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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 MAPT 4017/4885KMT2A 2924/4885NPC1 1457/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 MAPT 4253/4885KMT2A 3842/4885NPC1 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.