SCHEMBL3726242

SCHEMBL3726242

CC(=O)OOc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ MAOA P21397 2/20 0.44
▸ MAOB P27338 2/20 0.44
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ WDR5 P61964 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ BCHE P06276 1/20 0.40

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
SCHEMBL28392149 0.83 RXRA (0.47) OGG1KDM4EMAOBRXRARXRB
SCHEMBL337714 0.81 CYP3A4 (0.63) OGG1KDM4EMAOAMAOBLMNA
Ammonia Solution, Strong SCHEMBL28761898 0.79 CYP3A4 (0.61) OGG1KDM4EMAOAMAOBLMNA
SCHEMBL28630633 0.79 LMNA (0.67) MAOBLMNACYP3A4KMT2AL3MBTL1
SCHEMBL10767287 0.79 CYP3A4 (0.67) LMNACYP3A4POLBPARP1
SCHEMBL8438276 0.78 KMT2A (0.54) MAOAMAOBKMT2AL3MBTL1NPC1
SCHEMBL4683517 0.78 LMNA (0.42) MAOBLMNACYP3A4KMT2APARP1
SCHEMBL3645346 0.78 MAOB (0.44) KDM4EMAOAMAOBLMNACYP3A4
SCHEMBL4273850 0.78 CYP1A2 (0.46) KDM4EMAOBLMNACYP3A4KMT2A
SCHEMBL1281293 0.77 LMNA (0.52) KDM4EMAOBRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837843-B Imidazopyridazine derivant as GABAA receptor modulators 辉瑞有限公司 2016-08-31 — — CN disclosed
CN-104837843-A Imidazopyridazine derivatives as GABAA receptor modulators PFIZER 2015-08-12 — — CN disclosed
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 — — US disclosed
CN-1934099-A N-piperidine derivates as CCR3 modulators ASTRAZENECA AB (SE) 2007-03-21 — — CN disclosed
CN-1780822-A Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) ASTRAZENECA AB (SE) 2006-05-31 — — CN disclosed
EP-0783308-A1 USE OF 9-DEOXY PROSTAGLANDIN DERIVATIVES TO TREAT GLAUCOMA ALCON LABORATORIES, INC. (US) 1997-07-16 — — EP disclosed
WO-1996010407-A1 USE OF 9-DEOXY PROSTAGLANDIN DERIVATIVES TO TREAT GLAUCOMA ALCON LABORATORIES, INC. (US) 1996-04-11 — — 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 OGG1 4123/4885KDM4E 1233/4885MAOA 2038/4885

“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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