SCHEMBL11943833

SCHEMBL11943833

CCOCCOc1c(N2CCN(Cc3ccccc3)CC2)cnn(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMO Q99835 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11943814 0.91 NPBWR1 (0.47) SMOTSHRNPBWR1MCHR1KDM4E
SCHEMBL11943816 0.89 LMNA (0.51) TSHRNPBWR1MCHR1KDM4EPOLB
SCHEMBL11943840 0.88 KMT2A (0.49) TSHRNPBWR1MCHR1POLBALDH1A1
SCHEMBL11943849 0.86 ALDH1A1 (0.52) TSHRNPBWR1MCHR1POLBALDH1A1
SCHEMBL11945073 0.85 ALDH1A1 (0.46) TSHRNPBWR1MCHR1POLBALDH1A1
SCHEMBL11943413 0.85 SMO (0.49) SMOTSHRKDM4EPOLBALDH1A1
SCHEMBL11943838 0.85 ALDH1A1 (0.58) TSHRNPBWR1MCHR1POLBALDH1A1
SCHEMBL11943836 0.85 ALDH1A1 (0.47) TSHRNPBWR1MCHR1POLBALDH1A1
SCHEMBL11943952 0.83 MAPT (0.44) TSHRNPBWR1MCHR1KDM4EPOLB
SCHEMBL11943549 0.81 POLB (0.45) NPBWR1MCHR1KDM4EPOLBALDH1A1

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 SMO 4431/4885TSHR 4729/4885NPBWR1 4643/4885

“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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