SCHEMBL13328841

SCHEMBL13328841

CCN(CC)CCNc1c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)O)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ DCTPP1 Q9H773 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL11943298 0.93 SMN1; SMN2 (0.43) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A
SCHEMBL11943264 0.77 TRPV1 (0.49) MAPTDCTPP1SMN1; SMN2KMT2ALMNA
SCHEMBL11943300 0.73 HTT (0.56) MAPTALDH1A1DCTPP1KMT2AMEN1
SCHEMBL11943304 0.72 ALDH1A1 (0.51) MAPTALDH1A1DCTPP1LMNAHTT
SCHEMBL13304784 0.70 MAPT (0.44) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A
SCHEMBL11943147 0.69 POLB (0.43) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A
SCHEMBL11943219 0.68 ALDH1A1 (0.39) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A
SCHEMBL11954274 0.67 ALDH1A1 (0.64) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A
SCHEMBL11946582 0.67 TRPV1 (0.49) MAPTDCTPP1SMN1; SMN2KMT2ALMNA
SCHEMBL11943175 0.67 MEN1 (0.48) MAPTALDH1A1DCTPP1SMN1; SMN2KMT2A

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 MAPT 3651/4885ALDH1A1 2003/4885DCTPP1 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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