SCHEMBL2591932

SCHEMBL2591932

CC(C(=O)c1ccc(NCc2ccccc2)c(O)c1)C(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 6/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ IDO1 P14902 1/20 0.43
▸ HIF1A Q16665 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL2590876 0.84 HDAC8 (0.44) HDAC8HDAC1HDAC6IDO1HIF1A
SCHEMBL2590362 0.82 HDAC1 (0.44) HDAC8HDAC1HDAC6IDO1HIF1A
SCHEMBL6266178 0.73 KDM5A (0.56) IDO1KMT2AALDH1A1POLBHPGD
SCHEMBL6130238 0.70 IDO1 (0.56) HDAC8HDAC1HDAC6IDO1HIF1A
SCHEMBL16491994 0.70 HDAC8 (0.50) HDAC8HDAC1HDAC6HIF1AKMT2A
SCHEMBL11512059 0.70 MEN1 (0.62) IDO1HIF1AKMT2AALDH1A1HPGD
SCHEMBL9750717 0.69 IDO1 (0.61) HDAC8HDAC1HDAC6IDO1KMT2A
Bromide SCHEMBL10436174 0.68 KDM4E (0.75) HDAC8HDAC1HDAC6IDO1KMT2A
SCHEMBL13981982 0.68 MRGPRX4 (0.55) HIF1AKMT2AALDH1A1POLBHPGD
SCHEMBL7993941 0.67 GAA (0.65) HDAC8HDAC1HDAC6KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 — — EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — 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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 HDAC8 2714/4885HDAC1 2432/4885HDAC6 2928/4885

“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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