SCHEMBL11946580

SCHEMBL11946580

CN(C)CCCNc1c(N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ POLB P06746 4/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ DCTPP1 Q9H773 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11943137 0.91 RAB9A (0.54) RAB9ANPC1POLBTSHRKMT2A
SCHEMBL11943265 0.80 CYP46A1 (0.45) KMT2AMEN1ALDH1A1MAPTDCTPP1
SCHEMBL11954274 0.78 ALDH1A1 (0.64) NPC1POLBTSHRKMT2AMEN1
SCHEMBL11943183 0.78 ALDH1A1 (0.58) RAB9ANPC1POLBTSHRKMT2A
SCHEMBL11943144 0.77 DCTPP1 (0.47) POLBKMT2AALDH1A1MAPTDCTPP1
SCHEMBL11946582 0.76 TRPV1 (0.49) KMT2AMAPTDCTPP1LMNAHTT
SCHEMBL11943581 0.75 ALDH1A1 (0.46) RAB9ANPC1POLBKMT2AALDH1A1
SCHEMBL11943316 0.75 LMNA (0.50) POLBTSHRALDH1A1MAPTDCTPP1
SCHEMBL11943248 0.74 ALDH1A1 (0.46) POLBKMT2AALDH1A1MAPTDCTPP1
SCHEMBL13304784 0.74 MAPT (0.44) RAB9ANPC1POLBKMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
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
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (2 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA RAB9A 4688/4885NPC1 2179/4885POLB 1088/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 RAB9A 4434/4885NPC1 2218/4885POLB 1016/4885

“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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