SCHEMBL11943548

SCHEMBL11943548

CCOCCOc1c(N2CCNCC2)cnn(-c2cccc(Cl)c2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.45
▸ MCHR1 Q99705 3/20 0.45
▸ HTR2C P28335 5/20 0.44
▸ HTR6 P50406 4/20 0.44
▸ HTR2A P28223 4/20 0.44
▸ HTR2B P41595 4/20 0.44
▸ HTR1A P08908 3/20 0.44
▸ HTR7 P34969 3/20 0.44
▸ HTR3A P46098 3/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HTR3E A5X5Y0 1/20 0.44
▸ HTR3B O95264 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ADRB1 P08588 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
SCHEMBL11943546 0.89 MAPT (0.45) NPBWR1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL11945071 0.86 ALDH1A1 (0.54) NPBWR1MCHR1CYP3A4CYP2C19THRB
SCHEMBL11943549 0.85 POLB (0.45) NPBWR1MCHR1CYP3A4CYP2C19TP53
SCHEMBL11943816 0.85 LMNA (0.51) NPBWR1MCHR1HTR2AHTR1AHTR7
SCHEMBL17058306 0.85 TP53 (0.44) NPBWR1MCHR1HTR2CHTR6HTR2A
SCHEMBL17058399 0.85 POLB (0.42) NPBWR1MCHR1CYP3A4CYP2C19TP53
SCHEMBL11943950 0.84 POLB (0.49) NPBWR1MCHR1CYP3A4CYP2C19THRB
SCHEMBL11945072 0.84 MAPT (0.51) NPBWR1MCHR1CYP3A4CYP2C19TP53
SCHEMBL11943977 0.84 POLB (0.49) NPBWR1MCHR1CYP3A4CYP2C19THRB
SCHEMBL11943992 0.84 POLB (0.58) NPBWR1MCHR1CYP3A4CYP2C19THRB

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 NPBWR1 4643/4885MCHR1 4513/4885HTR2C 4304/4885

“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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