SCHEMBL2924549

SCHEMBL2924549

C=C(C)C(=O)NC(=O)c1ncccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ RAB9A P51151 6/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSPA5 P11021 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NLRP1 Q9C000 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
SCHEMBL2932341 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL8079170 0.72 HTT (0.55) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL6939073 0.72 POLB (0.46) P2RX7ALDH1A1KDM4EMAPTHTT
SCHEMBL1147584 0.72 NPC1 (0.41) ALDH1A1KDM4ERAB9ASMN1; SMN2NPC1
SCHEMBL194548 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTTDP1RAB9A
SCHEMBL2926156 0.71 P2RX7 (0.50) P2RX7ALDH1A1LMNATDP1RAB9A
SCHEMBL2363536 0.70 P2RX7 (0.60) P2RX7ALDH1A1KDM4EHTTLMNA
SCHEMBL16098187 0.70 P2RX7 (0.60) P2RX7ALDH1A1KDM4EHTTLMNA
SCHEMBL78126 0.68 ALDH1A1 (0.45) ALDH1A1KDM4ELMNATDP1RXFP1
SCHEMBL7171041 0.68 ALDH1A1 (0.45) ALDH1A1KDM4ELMNATDP1RXFP1

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 P2RX7 4273/4885ALDH1A1 3954/4885KDM4E 1159/4885
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 P2RX7 4804/4885ALDH1A1 3055/4885KDM4E 702/4885

“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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