SCHEMBL11946332

SCHEMBL11946332

O=c1c(OCC2CC2)c(N2CCCCC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.49
▸ MAPT P10636 5/20 0.49
▸ MCHR1 Q99705 3/20 0.46
▸ NPBWR1 P48145 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ PKM P14618 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 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
SCHEMBL11944763 0.84 CYP3A4 (0.50) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11946336 0.84 POLB (0.50) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11944679 0.84 POLB (0.48) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11946330 0.84 POLB (0.48) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11945448 0.83 MAPT (0.50) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11944678 0.83 TP53 (0.48) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11945480 0.82 POLB (0.50) MAPTMCHR1NPBWR1POLBCYP3A4
SCHEMBL11946072 0.82 POLB (0.42) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL17058180 0.82 CYP3A4 (0.39) TP53MAPTMCHR1NPBWR1POLB
SCHEMBL11944677 0.82 MAPT (0.49) TP53MAPTMCHR1NPBWR1POLB

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 TP53 3492/4885MAPT 2295/4885MCHR1 4513/4885

“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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