SCHEMBL2588760

SCHEMBL2588760

CCC(Cl)C(=O)c1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ CREBBP Q92793 1/20 0.57
▸ NOS1 P29475 1/20 0.48
▸ ESR1 P03372 1/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ ENPP2 Q13822 4/20 0.39
▸ ATXN2 Q99700 3/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL2590587 0.85 CREBBP (0.61) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL8947913 0.84 ALDH1A1 (0.57) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL25139448 0.81 CREBBP (0.64) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL2583451 0.79 KDM4E (0.73) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL2316982 0.76 KDM4E (0.69) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL2546849 0.76 CREBBP (0.69) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL12266541 0.76 ALDH1A1 (0.69) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL172191 0.76 ALDH1A1 (1.00) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL1594267 0.75 CREBBP (0.72) KDM4EALDH1A1CREBBPNOS1ESR1
SCHEMBL118684 0.75 KDM4E (0.67) KDM4EALDH1A1CREBBPNOS1ESR1

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 KDM4E 3665/4885ALDH1A1 1598/4885CREBBP 2936/4885

“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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