SCHEMBL11943550

SCHEMBL11943550

O=c1c(Cl)c(N2CCNCC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.61
CYP2C19 P33261 2/20 0.61
POLB P06746 1/20 0.61
PPARG P37231 1/20 0.61
NCOA2 Q15596 1/20 0.61
NCOA1 Q15788 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
ALDH1A1 P00352 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
PKM P14618 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HTR1A P08908 3/20 0.57
HTR2A P28223 3/20 0.57
HTR7 P34969 3/20 0.57
HTR2B P41595 3/20 0.57
HTR3A P46098 3/20 0.57
HTR6 P50406 3/20 0.57
HTR2C P28335 2/20 0.57
HTR3E A5X5Y0 1/20 0.57

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
SCHEMBL6030180 0.88 ALDH1A1 (0.66) POLBALDH1A1SMN1; SMN2CYP1A2THRB
SCHEMBL17057749 0.88 SMN1; SMN2 (0.58) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL4675758 0.86 CA12 (0.56) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11943537 0.85 POLB (0.64) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL17058359 0.84 HTR6 (0.58) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL14080989 0.83 POLB (0.59) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11945565 0.81 TP53 (0.47) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11943545 0.81 TP53 (0.46) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL13219456 0.80 ALDH1A1 (0.60) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL17058070 0.80 HTR6 (0.48) CYP3A4CYP2C19POLBPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
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-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 (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 CYP3A4 281/4885CYP2C19 461/4885POLB 1088/4885

“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.