SCHEMBL10120707

SCHEMBL10120707

COC(=O)C1CN(C(N)=S)CCN1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KMT2A Q03164 1/20 0.39
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ENPP2 Q13822 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 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
SCHEMBL28974721 0.83 PRKCQ (0.45) MAPTITGB2ICAM1ITGALGRM5
SCHEMBL31013539 0.83 PRKCQ (0.45) MAPTITGB2ICAM1ITGALGRM5
SCHEMBL8084718 0.79 SMN1; SMN2 (0.46) MAPTKMT2AALDH1A1LMNAL3MBTL1
SCHEMBL8404563 0.76 MAPT (0.42) MAPTKMT2AALDH1A1LMNAENPP2
SCHEMBL10120229 0.76 ITGB2 (0.48) MAPTITGB2ICAM1ITGALKMT2A
SCHEMBL7985048 0.76 GAA (0.43) MAPTKMT2AALDH1A1LMNA
SCHEMBL7968279 0.76 GAA (0.43) MAPTKMT2AALDH1A1LMNA
SCHEMBL696232 0.76 GAA (0.43) MAPTKMT2AALDH1A1LMNA
SCHEMBL2102798 0.76 GAA (0.43) MAPTKMT2AALDH1A1LMNA
SCHEMBL27242800 0.74 SMN1; SMN2 (0.48) MAPTKMT2AGRM5ALDH1A1LMNA

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-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 US disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 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 (1 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 MAPT 3316/4885ITGB2 3995/4885ICAM1 3781/4885

“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.