SCHEMBL1028124

SCHEMBL1028124

CC(=O)NNC(=O)c1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
ALDH1A1 P00352 7/20 0.61
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 4/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
PLA2G1B P04054 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL544644 0.83 TSHR (0.68) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL31387585 0.81 TSHR (0.66) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL13495683 0.81 TSHR (0.66) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL28780205 0.81 TSHR (0.71) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL12515016 0.81 ALDH1A1 (0.56) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL30041934 0.80 TSHR (0.74) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL571521 0.80 TSHR (0.74) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL10231311 0.79 HSP90AA1 (0.62) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL17303445 0.79 TSHR (0.77) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL16959576 0.79 TSHR (0.71) TSHRALDH1A1MEN1KMT2AMAPT

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-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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 (2 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 TSHR 4241/4885ALDH1A1 180/4885MEN1 2301/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TSHR 2667/4885ALDH1A1 600/4885MEN1 514/4885

“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.