SCHEMBL3601604

SCHEMBL3601604

CCOC(=S)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
ALDH1A1 P00352 7/20 0.52
TDP1 Q9NUW8 4/20 0.52
MAPT P10636 6/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 5/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
MITF O75030 1/20 0.45
GPR35 Q9HC97 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 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
SCHEMBL10652124 0.85 MEN1 (0.44) CYP1A2ALDH1A1TDP1MAPTMAPK1
SCHEMBL10653936 0.85 MAPT (0.49) CYP1A2ALDH1A1TDP1MAPTMAPK1
SCHEMBL492505 0.84 CYP1A2 (0.64) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL10650486 0.84 MAPT (0.53) ALDH1A1MAPTKDM4EMAPK1LMNA
SCHEMBL7644568 0.83 CYP1A2 (0.62) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL10651304 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPTKDM4EMAPK1
SCHEMBL10348330 0.80 CYP1A2 (0.74) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL10651996 0.79 SIGMAR1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2MITF
SCHEMBL3117835 0.78 ALDH1A1 (0.69) CYP1A2ALDH1A1TDP1MAPTKDM4E
SCHEMBL3032854 0.77 CYP1A2 (0.71) CYP1A2ALDH1A1TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CYP1A2 145/4885ALDH1A1 1904/4885TDP1 4591/4885

“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.