SCHEMBL3789366

SCHEMBL3789366

CC(C)CC(C)c1sccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.35
HTT P42858 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 4/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3792958 0.83 MAPT (0.34) PDE7AHTTALDH1A1MAPTTDP1
SCHEMBL3632961 0.70 ESR2 (0.40) PDE7AALDH1A1MAPTTDP1MAPK1
SCHEMBL16674748 0.70 ALDH1A1 (0.49) ALDH1A1MAPTTDP1POLBCYP2C19
SCHEMBL13155557 0.70 FFAR2 (0.30)
SCHEMBL31549306 0.70 ALDH1A1 (0.42) ALDH1A1MAPTTDP1POLBMAPK1
SCHEMBL6611730 0.69 ALDH1A1 (0.55) ALDH1A1MAPTTDP1POLBCYP1A2
SCHEMBL10747144 0.69 PDE7A (0.33) PDE7AHTTALDH1A1MAPTTDP1
SCHEMBL4592291 0.68 MEN1 (0.46) HTTALDH1A1MAPTMAPK1HSD17B10
SCHEMBL4648233 0.67
SCHEMBL10102505 0.67 PDE7A (0.38) PDE7AHTTALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102395573-B Process for producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2014-05-07 CN disclosed
CN-103467443-A Process for production of 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2013-12-25 CN disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
US-8367846-B2 Method of producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-02-05 US disclosed
CN-102395573-A Process for producing 2-alkyl-3-aminothiophene derivative MITSUI CHEMICALS AGRO INC 2012-03-28 CN disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 US disclosed
US-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE MITSUI CHEMICALS AGRO, INC. (JP) 2010-10-21 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-20100267963-A1 METHOD OF PRODUCING 2-ALKYL-3-AMINOTHIOPHENE DERIVATIVE CBR3, CYP2E1, SULT2A1 PDE7A 4634/4885HTT 2620/4885ALDH1A1 201/4885

“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.