SCHEMBL2840910

SCHEMBL2840910

C=CNC(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NAPRT Q6XQN6 1/20 0.52
▸ P4HTM Q9NXG6 1/20 0.52
▸ HDAC6 Q9UBN7 2/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL9217709 0.83 SMN1; SMN2 (0.56) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL21117744 0.79 CES2 (0.50) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2930023 0.79 CES2 (0.50) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1742218 0.79 CES2 (0.59) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1147702 0.78 KDM4E (0.73) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4508472 0.78 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL28799522 0.77 SMN1; SMN2 (0.58) LMNAKMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11223392 0.76 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1422257 0.76 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL28727383 0.76 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115142148-B High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2023-03-21 — — CN claimed
CN-115142148-A High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2022-10-04 — — CN claimed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
CN-115142148-B High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2023-03-21 — — CN disclosed
CN-115142148-A High-performance binary polyacrylonitrile-based carbon fiber precursor and preparation method thereof 东华大学 2022-10-04 — — CN disclosed
EP-2091936-B1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA LP (US) 2013-05-15 — — EP disclosed
US-8389549-B2 Substituted pyridines useful for treating pain PURDUE PHARMA L.P. (US) 2013-03-05 — — US disclosed
EP-2479173-A1 Therapeutic agents useful for treating pain Purdue Pharma LP (US) 2012-07-25 — — EP disclosed
US-20100130552-A1 Therapeutic Agents Useful for Treating Pain PURDUE PHARMA L.P. 2010-05-27 — — US disclosed
EP-2091936-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN Purdue Pharma LP (US) 2009-08-26 — — EP disclosed
WO-2008133973-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (DE) 2008-11-06 — — WO 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-20100130552-A1 Therapeutic Agents Useful for Treating Pain ARRB1, OPRK1, OPRD1 CES2 4211/4885CES1 3217/4885LMNA 4304/4885

“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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