SCHEMBL11943165

SCHEMBL11943165

CC(C)c1ccc(NC(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3NCCN3CCCCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 10/20 0.47
▸ FAAH O00519 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL11943168 0.77 ALDH1A1 (0.44) MAPTSMN1; SMN2ALDH1A1DCTPP1KMT2A
SCHEMBL11943122 0.76 SMYD2 (0.52) SMN1; SMN2ALDH1A1DCTPP1KMT2A
SCHEMBL13329245 0.76 SMYD2 (0.45) MAPTSMN1; SMN2ALDH1A1DCTPP1
SCHEMBL11954265 0.75 NPC1 (0.49) MAPTSMN1; SMN2ALDH1A1DCTPP1KMT2A
SCHEMBL11943161 0.75 TRPV1 (0.47) FAAHTRPV1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11943153 0.75 TRPV1 (0.50) FAAHTRPV1MAPTSMN1; SMN2DCTPP1
SCHEMBL16300919 0.74 TRPV1 (0.51) FAAHTRPV1MAPTSMN1; SMN2DCTPP1
SCHEMBL11946581 0.74 NPC1 (0.48) MAPTSMN1; SMN2ALDH1A1MAPK1DCTPP1
SCHEMBL11943264 0.74 TRPV1 (0.49) FAAHTRPV1MAPTSMN1; SMN2DCTPP1
SCHEMBL11946582 0.74 TRPV1 (0.49) FAAHTRPV1MAPTSMN1; SMN2DCTPP1

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 PANK3 807/4885FAAH 4782/4885TRPV1 4730/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 PANK3 905/4885FAAH 4851/4885TRPV1 4764/4885

“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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