SCHEMBL5280249

SCHEMBL5280249

NCCSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
ALDH1A1 P00352 5/20 0.57
POLB P06746 1/20 0.57
LOXL2 Q9Y4K0 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
IDO1 P14902 3/20 0.47
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CRBN Q96SW2 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
Hydrochloric Acid SCHEMBL5654081 0.98 MAPT (0.55) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL16479608 0.89 MAPT (0.54) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL8746687 0.88 ALDH1A1 (0.64) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL9570633 0.82 MAPT (0.58) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL7297643 0.82 MAPT (0.58) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL9211374 0.81 MAPT (0.49) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL8811170 0.81 MAPT (0.58) MAPTALDH1A1POLBMEN1KMT2A
SCHEMBL9395356 0.81 MAPT (0.57) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL2769872 0.81 MAPT (0.57) MAPTALDH1A1POLBLOXL2MEN1
SCHEMBL5657641 0.81 MAPT (0.57) MAPTALDH1A1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
EP-0332570-A2 Novel-N-(4-(Aminosubstituted)phenyl) methanesulfonamides and their use as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-13 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MAPT 3848/4885ALDH1A1 781/4885POLB 820/4885

“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.