SCHEMBL13304784

SCHEMBL13304784

CN(C)CCCNc1c(N2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ DCTPP1 Q9H773 3/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ SPR P35270 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37

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
SCHEMBL11954274 0.83 ALDH1A1 (0.64) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943183 0.82 ALDH1A1 (0.58) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943316 0.82 LMNA (0.50) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943304 0.75 ALDH1A1 (0.51) MAPTALDH1A1DCTPP1POLBLMNA
SCHEMBL11943197 0.75 ALDH1A1 (0.49) MAPTALDH1A1DCTPP1SPRSMN1; SMN2
SCHEMBL11943289 0.75 ALDH1A1 (0.41) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11946582 0.74 TRPV1 (0.49) MAPTDCTPP1SMN1; SMN2LMNAKMT2A
SCHEMBL11946580 0.74 RAB9A (0.52) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943609 0.73 MAPT (0.50) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL14585492 0.73 ADRA2A (0.44) ALDH1A1KDM2BPOLBHTR6ADRA2A

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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