SCHEMBL2937028

SCHEMBL2937028

NC(=S)NNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
GAA P10253 9/20 0.68
MAPT P10636 9/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
POLB P06746 3/20 0.57
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CASP7 P55210 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KCNMA1 Q12791 1/20 0.48

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
SCHEMBL7573420 0.83 ALDH1A1 (0.59) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL29838526 0.83 MEN1 (0.62) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1883671 0.83 MEN1 (0.62) ALDH1A1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8764180 0.81 MEN1 (0.60) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL20984065 0.81 GAA (0.67) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL10433483 0.80 ALDH1A1 (0.63) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL3267559 0.79 GAA (0.69) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11207257 0.78 ALDH1A1 (0.63) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL12188088 0.77 ALDH1A1 (0.55) ALDH1A1GAAMAPTMEN1KMT2A
Aziridine SCHEMBL29221601 0.76 MAPT (0.55) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140248291-A1 Modulation of Cellular Migration THE UAB RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
EP-2105433-B1 Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction UNIV DRESDEN TECH (DE) 2010-09-22 EP disclosed
EP-2105433-A1 Modular scaffold for the design of specific molecules for the use as peptidomimetics and inhibitors of protein interaction Technische Universität Dresden (DE) 2009-09-30 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 (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-20140248291-A1 Modulation of Cellular Migration BDKRB2, BDKRB1, PTGIR ALDH1A1 4717/4885GAA 4847/4885MAPT 4153/4885

“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.