SCHEMBL6285397

SCHEMBL6285397

NCC(O)c1ccc(OC(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ HTR3A P46098 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ APEX1 P27695 3/20 0.52
▸ TDP1 Q9NUW8 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ BLM P54132 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADRA1A P35348 2/20 0.44
▸ DRD1 P21728 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ ADRB1 P08588 1/20 0.44

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
SCHEMBL18290856 0.81 LMNA (0.50) ALOX15MAPTHPGDDRD1MEN1
SCHEMBL25101106 0.81 TAAR1 (0.53) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL24838721 0.79 PNMT (0.53) TAAR1NFKB1TSHRHIF1AAPEX1
SCHEMBL4074768 0.78 TAAR1 (0.80) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL25545401 0.78 MEN1 (0.40) ALOX15MAPTDRD1MEN1LMNA
SCHEMBL19416608 0.78 ALOX15 (0.44) KDM4EALOX15MAPTHPGDDRD1
SCHEMBL9054504 0.76 AOC3 (0.65) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL336019 0.76 AOC3 (0.65) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL7152554 0.76 AOC3 (0.65) TAAR1NFKB1HTR3ATSHRHIF1A
SCHEMBL10305096 0.76 TAAR1 (0.52) TAAR1NFKB1HTR3ATSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011105572-A1 NOVEL HETEROARYL DERIVATIVE 持田製薬株式会社 (JP) 2011-09-01 — — WO disclosed
US-6974870-B2 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHAMACEUTICALS, INC. (US) 2005-12-13 — — US disclosed
US-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-16 — — 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-20040180922-A1 Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKB, CHUK TAAR1 2102/4885NFKB1 10/4885HTR3A 4183/4885

“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.

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