SCHEMBL17429753

SCHEMBL17429753

NC(Cc1ccc([N+](=O)[O-])cc1)c1csc(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
IDO1 P14902 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
EPHX1 P07099 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
PTPRB P23467 1/20 0.37
RAD52 P43351 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAP Q12884 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL683494 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL468370 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL17419382 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL21485485 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
Bromide SCHEMBL28828062 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2DPP4DPP7IDO1
SCHEMBL8556382 0.83 PTPRB (0.41) ALDH1A1SMN1; SMN2IDO1PTPRBMAPT
SCHEMBL500399 0.81 PTPRB (0.44) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL468264 0.81 PTPRB (0.44) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL468265 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2DPP4DPP7DPP8
SCHEMBL27751526 0.79 EPHX1 (0.38) ALDH1A1SMN1; SMN2DPP4DPP7IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS EyePoint, Inc. 2016-01-14 US 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-20160008327-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASASIS OF CANCER CELLS TSG101, MMP8, EPCAM ALDH1A1 748/4885SMN1; SMN2 2100/4885DPP4 2305/4885

“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.