SCHEMBL11954274

SCHEMBL11954274

Cc1ccc(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCCN(C)C)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.64
▸ TSHR P16473 3/20 0.49
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ DCTPP1 Q9H773 1/20 0.46
▸ PPARG P37231 2/20 0.44
▸ NCOA2 Q15596 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ LMNA P02545 3/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL11943183 0.92 ALDH1A1 (0.58) ALDH1A1TSHRMAPTNPC1PKM
SCHEMBL11943316 0.87 LMNA (0.50) ALDH1A1TSHRMAPTPKMDCTPP1
SCHEMBL13304784 0.83 MAPT (0.44) ALDH1A1MAPTNPC1DCTPP1PPARG
SCHEMBL11946583 0.82 ALDH1A1 (0.61) ALDH1A1TSHRMAPTNPC1PKM
SCHEMBL11943289 0.80 ALDH1A1 (0.41) ALDH1A1MAPTNPC1DCTPP1PPARG
SCHEMBL11945038 0.79 ALDH1A1 (0.56) ALDH1A1TSHRMAPTNPC1PKM
SCHEMBL11946580 0.78 RAB9A (0.52) ALDH1A1TSHRMAPTNPC1DCTPP1
SCHEMBL11943304 0.78 ALDH1A1 (0.51) ALDH1A1TSHRMAPTPKMDCTPP1
SCHEMBL11946600 0.77 LMNA (0.52) ALDH1A1TSHRMAPTPKMDCTPP1
SCHEMBL11943286 0.77 ALDH1A1 (0.50) ALDH1A1TSHRMAPTDCTPP1PPARG

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 2003/4885TSHR 4577/4885MAPT 3651/4885

“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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