SCHEMBL13304363

SCHEMBL13304363

O=c1c(N2CCCN(Cc3ccccc3)C2)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ DCTPP1 Q9H773 2/20 0.49
▸ POLB P06746 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 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
SCHEMBL11943174 0.80 MAPT (0.49) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL13305352 0.73 CNR1 (0.43) MAPTALDH1A1DCTPP1NPSR1NPC1
SCHEMBL11943104 0.71 NPC1 (0.54) MAPTALDH1A1DCTPP1POLBNPSR1
SCHEMBL11943290 0.71 ALDH1A1 (0.51) MAPTALDH1A1DCTPP1CYP3A4CYP2C19
SCHEMBL11943292 0.71 MAPT (0.50) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11943201 0.70 POLB (0.53) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL2960625 0.70 TSHR (0.65) MAPTALDH1A1POLBTSHRLMNA
SCHEMBL11943178 0.69 ALDH1A1 (0.55) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11944114 0.69 POLB (0.55) MAPTALDH1A1DCTPP1POLBCYP3A4
SCHEMBL11943283 0.69 MAPT (0.60) MAPTALDH1A1DCTPP1POLBNPC1

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 2 patents. 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
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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