SCHEMBL11946168

SCHEMBL11946168

COc1ccc(COCCC2(COc3c(N4CCN(C)CC4)cnn(-c4cc(F)cc(F)c4)c3=O)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.38
▸ NPBWR1 P48145 8/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KIT P10721 2/20 0.35
▸ CCR4 P51679 1/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CASP1 P29466 2/20 0.35
▸ CASP7 P55210 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL11946167 0.82 POLB (0.38) MCHR1NPBWR1ALDH1A1NPSR1USP2
SCHEMBL11946125 0.81 POLB (0.40) MCHR1NPBWR1ALDH1A1NPSR1USP2
SCHEMBL11946122 0.80 POLB (0.39) MCHR1NPBWR1ALDH1A1NPSR1USP2
SCHEMBL11946124 0.75 ALDH1A1 (0.40) MCHR1NPBWR1ALDH1A1NPSR1CYP3A4
SCHEMBL17058432 0.74 MCHR1 (0.38) MCHR1NPBWR1ALDH1A1NPSR1CYP3A4
SCHEMBL11945876 0.74 MCHR1 (0.37) MCHR1NPBWR1ALDH1A1NPSR1USP2
SCHEMBL14899804 0.73 CTSK (0.35) MCHR1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11944609 0.72 MAPT (0.38) ALDH1A1NPSR1CYP3A4POLBSLC2A1
SCHEMBL17057803 0.72 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP1A2TSHRSMN1; SMN2
SCHEMBL11944430 0.72 MCHR1 (0.42) MCHR1NPBWR1ALDH1A1NPSR1CYP3A4

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 MCHR1 4513/4885NPBWR1 4643/4885ALDH1A1 2437/4885

“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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