SCHEMBL11946489

SCHEMBL11946489

O=c1c(N2CCNCC2)c(Cl)c([N+](=O)[O-])nn1C1CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 2/20 0.33
ATR Q13535 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL11946484 0.92 MAPT (0.33) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL11946485 0.81 GAA (0.35) ALDH1A1CYP1A2MEN1POLBKMT2A
SCHEMBL14899859 0.76 MEN1 (0.33) CYP1A2MEN1POLBKMT2AGAA
SCHEMBL20818257 0.72 MRGPRX1 (0.43) ALDH1A1ATRSMN1; SMN2POLBKMT2A
SCHEMBL14081897 0.72 POLB (0.33) MAPTALDH1A1CYP1A2MEN1POLB
SCHEMBL22207247 0.64 GAA (0.36) MAPTALDH1A1CYP1A2CYP2C19POLB
SCHEMBL15728531 0.64 ALDH1A1 (0.36) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL26131166 0.64 GAA (0.38) ALDH1A1CYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL20640604 0.63 GAA (0.44) MAPTALDH1A1CYP1A2CYP2C19HTT
SCHEMBL20817925 0.62 ATR (0.48) ALDH1A1ATRSMN1; SMN2POLBKMT2A

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 4 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-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 MAPT 2295/4885ALDH1A1 2437/4885CYP1A2 310/4885

“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.