SCHEMBL2932341

SCHEMBL2932341

C=C(C)C(=O)NC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ RAB9A P51151 7/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 7/20 0.51
▸ GAA P10253 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ AGTR1 P30556 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ PKM P14618 3/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL3188677 0.82 ALDH1A1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL4508472 0.82 CES2 (0.64) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL6939073 0.81 POLB (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2747054 0.81 ALDH1A1 (0.51) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL28727383 0.80 CES2 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL2924549 0.79 P2RX7 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL21117744 0.78 CES2 (0.50) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL8597610 0.77 LMNA (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3035558 0.77 CES2 (0.69) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL28467064 0.77 KMT2A (0.58) RAB9ASMN1; SMN2NPC1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732550-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2010-06-08 — — US disclosed
EP-0922715-B1 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY IND SCIENCE TECHN (JP) 2008-04-02 — — EP disclosed
US-6858694-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 2005-02-22 — — US disclosed
US-6852819-B2 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same AGENCY OF INDUSTRIAL SCIENCE & TECHNOLOGY MITI (JP) 2005-02-08 — — US disclosed
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 — — US disclosed
US-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2004-11-11 — — US disclosed
US-20020188084-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same JNC CORPORATION (JP) 2002-12-12 — — US disclosed
EP-0922715-A2 Stimuli-responsive polymer utilizing keto-enol tautomerization AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY MITI (JP) 1999-06-16 — — 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-20040223945-A1 Stimuti-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same CREB1, STIM2, GABRE ALDH1A1 3954/4885RAB9A 4639/4885SMN1; SMN2 2126/4885
US-20040223947-A1 Stimuli-responsive polymer utilizing keto-enol tautomerization and stimuli-responsive separating material and chemical-releasing capsule comprising the same ACMSD, ADSL, CREB1 ALDH1A1 3055/4885RAB9A 4530/4885SMN1; SMN2 3133/4885

“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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