SCHEMBL8557216

SCHEMBL8557216

O=C1CCc2c1ccc(Cl)c2Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CES1 P23141 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
PNMT P11086 6/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
AHR P35869 2/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PRKCI P41743 1/20 0.33

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
SCHEMBL1695315 0.88 MAOA (0.43) NOTUMKDM4EALDH1A1CES1HTR2A
SCHEMBL31170780 0.88 MAOA (0.43) NOTUMKDM4EALDH1A1CES1HTR2A
SCHEMBL5846723 0.88 PARP1 (0.39) NOTUMCES1HTR2AHTR2CHTR2B
SCHEMBL9274349 0.79 NOTUM (0.47) NOTUMKDM4EALDH1A1HPGDHTR2A
SCHEMBL18094360 0.79 HTR2A (0.42) NOTUMKDM4EALDH1A1HPGDHTR2A
SCHEMBL30667056 0.79 NOTUM (0.47) NOTUMKDM4EALDH1A1HPGDHTR2A
SCHEMBL14021484 0.79 KDM4E (0.41) NOTUMKDM4EALDH1A1HPGDCASP1
SCHEMBL11663902 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL22102587 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL28972015 0.79 HPGD (0.41) KDM4EALDH1A1HPGDCASP1CASP7

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
US-8455500-B2 3-hydroxy-5-arylisoxazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
EP-2495238-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2012-09-05 EP disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
EP-0662971-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE POULENC RORER SA (FR) 1998-05-13 EP disclosed
US-5677306-A ANTAGONIZING ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR, USEFUL FOR TREATING ALL ISCHEMIAS RHONE-POULENC RORER S.A. (FR) 1997-10-14 US disclosed
EP-0662971-A1 DERIVATIVES OF 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM Aventis Pharma S.A. (FR) 1995-07-19 EP disclosed
WO-1994007893-A1 DERIVATIVES OF 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE, PREPARATION THEREOF AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1994-04-14 WO disclosed
EP-0001002-B1 INDANAMINES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SMITHKLINE BECKMAN CORPORATION (US) 1981-08-12 EP disclosed
US-4128666-A PHENYLETHANOLAMINE N-METHYL-TRANSFERASE INHIBITORS SMITHKLINE CORPORATION (US) 1978-12-05 US disclosed
US-4096173-A Chlorinated 1-aminoindane N-methyl transferase inhibitors ELI LILLY AND COMPANY (US) 1978-06-20 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-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 NOTUM 3216/4885KDM4E 2811/4885ALDH1A1 2867/4885

“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.