SCHEMBL11945342

SCHEMBL11945342

O=c1c(OCc2ccccc2)c(N2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ LMNA P02545 3/20 0.46
▸ DCTPP1 Q9H773 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ THRB P10828 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 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
SCHEMBL11945273 0.93 CYP3A4 (0.47) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11944410 0.91 MAPT (0.57) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945116 0.88 MAPT (0.49) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945004 0.88 MAPT (0.49) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945348 0.88 MAPT (0.52) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945376 0.87 POLB (0.41) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11945293 0.86 CYP3A4 (0.47) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945370 0.86 MAPT (0.40) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11945347 0.84 MAPT (0.52) MAPTALDH1A1LMNADCTPP1KMT2A
SCHEMBL11945364 0.84 ALDH1A1 (0.39) MAPTALDH1A1LMNADCTPP1KMT2A

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-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA MAPT 2295/4885ALDH1A1 2437/4885LMNA 929/4885

“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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