SCHEMBL5130461

SCHEMBL5130461

Cc1nc(NC(CO)CSCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
CXCR2 P25025 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GSTP1 P09211 1/20 0.35
GSTM2 P28161 1/20 0.35
PIN1 Q13526 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
METAP2 P50579 1/20 0.34
SIRT5 Q9NXA8 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
SCHEMBL5130459 1.00 ALDH1A1 (0.41) ALDH1A1GAALMNACXCR2RECQL
SCHEMBL5123860 0.85 MAPT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5123863 0.85 MAPT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5127407 0.80 MAPT (0.36) ALDH1A1LMNACXCR2MAPTMEN1
SCHEMBL5126008 0.79 MAPT (0.51) ALDH1A1GAACXCR2MAPTMEN1
SCHEMBL5126018 0.79 MAPT (0.51) ALDH1A1GAACXCR2MAPTMEN1
SCHEMBL5130420 0.76 GSR (0.40) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL5126036 0.76 GSR (0.40) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL5126033 0.76 GSR (0.40) ALDH1A1LMNAMAPTNPC1SMN1; SMN2
SCHEMBL5122458 0.75 ENPP2 (0.48) ALDH1A1GAALMNAMAPTMEN1

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-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 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-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR ALDH1A1 567/4885GAA 1175/4885LMNA 2695/4885

“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.