SCHEMBL8306836

SCHEMBL8306836

CCCC(=O)c1cccc(NC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.48
HTR2B P41595 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B3 P37058 1/20 0.46
KMT2A Q03164 2/20 0.43
F2R P25116 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL12852560 0.86 L3MBTL1 (0.53) HPGDL3MBTL1SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL27639556 0.84 L3MBTL1 (0.51) HPGDL3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL6689726 0.83 HDAC3 (0.59) HPGDSMN1; SMN2KMT2ALMNARAB9A
SCHEMBL29153730 0.83 HSD17B3 (0.57) HPGDL3MBTL1SMN1; SMN2HSD17B3KMT2A
SCHEMBL18748244 0.82 HTR2B (0.47) HPGDHTR2BL3MBTL1SMN1; SMN2HSD17B3
SCHEMBL10810948 0.81 GSK3B (0.52) L3MBTL1KMT2AALDH1A1MEN1AKR1C3
SCHEMBL15945988 0.80 KDM4E (0.60) HPGDKMT2AALDH1A1MEN1
SCHEMBL15945985 0.80 HDAC11 (0.51) HPGDSMN1; SMN2F2RLMNARAB9A
SCHEMBL28213521 0.80 HDAC6 (0.53) HPGDHTR2BL3MBTL1SMN1; SMN2F2R
Bromide SCHEMBL10751253 0.79 GSK3B (0.50) L3MBTL1KMT2AALDH1A1MEN1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM ALLINKY BIOPHARMA (ES) 2017-04-20 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 EP disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 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-20170107230-A1 P38 AND JNK MAPK INHIBITORS FOR THE TREATMENT AND PROPHYLAXIS OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM MAPK1, MAPK14, MAPK11 HPGD 999/4885HTR2B 3982/4885L3MBTL1 299/4885

“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.