SCHEMBL13329621

SCHEMBL13329621

Bc1cc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCCOC(C)C)CC2)cnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 2/20 0.44
▸ DCTPP1 Q9H773 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PTGDR Q13258 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL11943210 0.91 ALDH1A1 (0.47) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943593 0.81 MAPT (0.47) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943294 0.80 MAPT (0.51) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943911 0.76 ALDH1A1 (0.56) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11946583 0.76 ALDH1A1 (0.61) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943183 0.75 ALDH1A1 (0.58) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943304 0.73 ALDH1A1 (0.51) ALDH1A1MAPTDCTPP1KDM4EGAA
SCHEMBL11954274 0.73 ALDH1A1 (0.64) ALDH1A1MAPTDCTPP1KDM4ENPC1
SCHEMBL11946600 0.72 LMNA (0.52) ALDH1A1MAPTDCTPP1KDM4ERAB9A
SCHEMBL11943286 0.72 ALDH1A1 (0.50) ALDH1A1MAPTDCTPP1KDM4ERAB9A

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 2003/4885MAPT 3651/4885DCTPP1 209/4885

“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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