SCHEMBL1124322

SCHEMBL1124322

Cc1ncc(C=CC(=O)O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.52
HDAC2 Q92769 6/20 0.52
HCAR2 Q8TDS4 3/20 0.48
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.39
P4HTM Q9NXG6 1/20 0.39
GAA P10253 1/20 0.39
TBXAS1 P24557 2/20 0.38
KDM4E B2RXH2 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC7 Q8WUI4 5/20 0.37
HDAC10 Q969S8 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
HDAC8 Q9BY41 5/20 0.37

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
SCHEMBL1124319 1.00 HDAC1 (0.52) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL11744369 0.88 HDAC1 (0.46) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL11744376 0.88 HDAC1 (0.46) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL4887101 0.85 HDAC1 (0.52) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL4887097 0.85 HDAC1 (0.52) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL12497241 0.78 HCAR2 (0.42) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL12497242 0.78 HCAR2 (0.42) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL4013209 0.78 KDM4E (0.45) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL4013207 0.78 KDM4E (0.45) HDAC1HDAC2HCAR2MAPK1KMT2A
SCHEMBL9467437 0.77 NPC1 (0.45) HDAC1HDAC2HCAR2MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053618-A ANTILIPOLYTIC ROUSSEL-UCLAF (FR) 1977-10-11 US claimed
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 WO disclosed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP disclosed
US-4172137-A 5-Thiazole-alkylamines used as antilipolytics ROUSSEL UCLAF (FR) 1979-10-23 US disclosed
US-4073919-A Hypolipemiant compositions and methods ROUSSEL UCLAF (FR) 1978-02-14 US disclosed
US-4053618-A ANTILIPOLYTIC ROUSSEL-UCLAF (FR) 1977-10-11 US disclosed
US-4032643-A ANTILIPOLYTIC AGENTS, VASODILATION, ANTIBRADYKINETIC AGENTS ROUSSEL-UCLAF (FR) 1977-06-28 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-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 HDAC1 1796/4885HDAC2 1618/4885HCAR2 2378/4885

“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.