SCHEMBL364490

SCHEMBL364490

CON(C)C(=O)CC(c1ccc(C2CCN(C(=O)O)CC2)cc1)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CCR1 P32246 4/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LIPE Q05469 1/20 0.36
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL364506 0.89 NAMPT (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL1390642 0.89 NAMPT (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL14965520 0.89 KMT2A (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL362062 0.78 GPBAR1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL362061 0.78 GPBAR1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL362134 0.78 GPBAR1 (0.46) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL363429 0.77 ENPP2 (0.39) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL14936913 0.77 GPBAR1 (0.36) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL369411 0.76 TRPV6 (0.45) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL368625 0.76 GPBAR1 (0.53) KMT2AMEN1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780330-B1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2016-01-06 — — EP disclosed
US-9090565-B2 1-pyridazinyl-hydroxyimino-3-phenyl-propanes HOFFMANN-LA ROCHE INC. (US) 2015-07-28 — — US disclosed
EP-2780330-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-24 — — EP disclosed
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 — — EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 — — US disclosed
WO-2013072265-A1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-23 — — WO disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 — — EP disclosed
US-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN-LA ROCHE INC. (US) 2013-05-16 — — US disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 — — 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 (2 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-20130123267-A1 1-PYRIDAZINYL-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, ADRB1, GPER1 KMT2A 4298/4885MEN1 2426/4885CYP1A2 344/4885
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 KMT2A 3981/4885MEN1 1315/4885CYP1A2 369/4885

“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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