SCHEMBL13329196

SCHEMBL13329196

Cc1ccc(I)c(S(=O)(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NC3CCN(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.43
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ NR2F2 P24468 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL11943181 0.84 NR2F2 (0.47) ALDH1A1MAPTDCTPP1NR2F2PDK2
SCHEMBL11943174 0.83 MAPT (0.49) ALDH1A1MAPTDCTPP1BCHEACHE
SCHEMBL11943310 0.81 ALDH1A1 (0.48) ALDH1A1MAPTPKMDCTPP1
SCHEMBL11943238 0.77 TP53 (0.42) ALDH1A1MAPTDCTPP1CHRM4TSHR
SCHEMBL11943270 0.76 MAPT (0.48) MAPTDCTPP1TSHRSMN1; SMN2LMNA
SCHEMBL13329125 0.75 FAAH (0.48) MAPTPKMDCTPP1CHRM4TSHR
SCHEMBL13304402 0.74 SMN1; SMN2 (0.52) ALDH1A1MAPTPKMTSHRSMN1; SMN2
SCHEMBL11943242 0.73 DCTPP1 (0.53) ALDH1A1MAPTDCTPP1TSHRSMN1; SMN2
SCHEMBL11943295 0.73 MAPT (0.53) ALDH1A1MAPTDCTPP1TSHRSMN1; SMN2
SCHEMBL11943261 0.73 DCTPP1 (0.47) ALDH1A1DCTPP1TSHRSMN1; SMN2POLB

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 3651/4885PKM 190/4885

“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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