SCHEMBL13329089

SCHEMBL13329089

Cc1cccc(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3OCCc3ccc(O)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ NPBWR1 P48145 2/20 0.41
▸ MCHR1 Q99705 2/20 0.41
▸ DRD4 P21917 2/20 0.40
▸ DRD2 P14416 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL11943329 0.95 ALDH1A1 (0.46) ALDH1A1KDM4ENPBWR1MCHR1DRD4
SCHEMBL11943361 0.91 NPBWR1 (0.47) ALDH1A1KDM4ENPBWR1MCHR1MAPT
SCHEMBL11943401 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EDRD4DRD2MAPT
SCHEMBL11943396 0.87 ALDH1A1 (0.45) ALDH1A1KDM4ENPBWR1MCHR1DRD4
SCHEMBL11943430 0.87 ALDH1A1 (0.45) ALDH1A1KDM4ENPBWR1MCHR1DRD2
SCHEMBL13329739 0.85 KMT2A (0.41) ALDH1A1NPBWR1MCHR1DRD4DRD2
SCHEMBL14081678 0.84 NPBWR1 (0.47) ALDH1A1NPBWR1MCHR1DRD4DRD2
SCHEMBL14080924 0.84 NPBWR1 (0.44) ALDH1A1NPBWR1MCHR1DRD4DRD2
SCHEMBL14080964 0.83 NPBWR1 (0.43) ALDH1A1NPBWR1MCHR1DRD4DRD2
SCHEMBL11943438 0.83 KDM4E (0.46) ALDH1A1KDM4EDRD4DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 ALDH1A1 2003/4885KDM4E 1706/4885NPBWR1 3390/4885

“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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