SCHEMBL11943545

SCHEMBL11943545

O=c1c(OC2Cc3ccccc3C2)c(N2CCNCC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
HTR2B P41595 3/20 0.46
HTR3A P46098 3/20 0.46
HTR6 P50406 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTR2C P28335 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CYP1A2 P05177 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP2D6 P10635 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
HTR3D Q70Z44 1/20 0.46

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
SCHEMBL11945565 0.89 TP53 (0.47) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL17058069 0.88 NPBWR1 (0.39) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL17058067 0.88 SMN1; SMN2 (0.43) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL17058117 0.85 HTR1A (0.39) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL11943943 0.85 ALDH1A1 (0.58) TP53CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL17057838 0.85 TP53 (0.43) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL17058286 0.84 ALDH1A1 (0.45) TP53CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL17057880 0.84 ALDH1A1 (0.45) TP53CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL17057798 0.84 HTR2C (0.40) TP53HTR1AHTR2AHTR7HTR2B
SCHEMBL11943970 0.84 POLB (0.50) CYP3A4CYP2C19SMN1; SMN2ALDH1A1KDM4E

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 TP53 3492/4885HTR1A 4010/4885HTR2A 4040/4885

“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.