SCHEMBL6006674

SCHEMBL6006674

S=[C]NCc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYSLTR1 Q9Y271 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
LMNA P02545 1/20 0.40
NCF1 P14598 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
SCHEMBL6008471 0.82 HDAC1 (0.48) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL24943587 0.79 HDAC1 (0.55) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL6006477 0.77 PDE10A (0.56) CYP1A2KDM4EHPGDHTTLMNA
SCHEMBL6008488 0.76 KDM4E (0.39) CYP1A2KDM4ENPC1HPGDHTT
SCHEMBL28879846 0.76 KDM1A (0.50) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL2924050 0.76 NCF1 (0.53) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL5547093 0.76 HDAC1 (0.55) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL30388584 0.76 KDM1A (0.50) KDM1AMAOAMAOBCYSLTR1CYSLTR2
SCHEMBL10616742 0.74 KDM1A (0.49) KDM1AMAOAMAOBCYSLTR1CYSLTR2
Hydrochloric Acid SCHEMBL7830119 0.74 NCF1 (0.52) KDM1AMAOAMAOBCYSLTR1CYSLTR2

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-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 KDM1A 959/4885MAOA 558/4885MAOB 664/4885

“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.