SCHEMBL11943836

SCHEMBL11943836

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 2/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ MAPT P10636 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL11943838 0.92 ALDH1A1 (0.58) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943840 0.91 KMT2A (0.49) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943849 0.90 ALDH1A1 (0.52) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943847 0.88 ALDH1A1 (0.43) ALDH1A1TSHRNPBWR1MCHR1SMN1; SMN2
SCHEMBL11943846 0.88 ALDH1A1 (0.51) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11945073 0.86 ALDH1A1 (0.46) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943833 0.85 SMO (0.48) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943952 0.84 MAPT (0.44) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943814 0.84 NPBWR1 (0.47) ALDH1A1POLBTSHRNPBWR1MCHR1
SCHEMBL11943795 0.78 MEN1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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 ALDH1A1 2437/4885POLB 1088/4885TSHR 4729/4885

“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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