SCHEMBL11943814

SCHEMBL11943814

CCOCCOc1c(N2CCN(Cc3c(Cl)cccc3Cl)CC2)cnn(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ SMO Q99835 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ DCTPP1 Q9H773 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11943833 0.91 SMO (0.48) NPBWR1MCHR1ALDH1A1SMOMAPT
SCHEMBL11943549 0.90 POLB (0.45) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943815 0.89 NPC1 (0.46) NPBWR1MCHR1ALDH1A1MAPTNPSR1
SCHEMBL11943824 0.88 MAPT (0.40) NPBWR1MCHR1ALDH1A1MAPTNPSR1
SCHEMBL11945073 0.85 ALDH1A1 (0.46) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943836 0.84 ALDH1A1 (0.47) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943838 0.84 ALDH1A1 (0.58) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943952 0.82 MAPT (0.44) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943849 0.82 ALDH1A1 (0.52) NPBWR1MCHR1ALDH1A1MAPTLMNA
SCHEMBL11943816 0.82 LMNA (0.51) NPBWR1MCHR1ALDH1A1MAPTLMNA

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 NPBWR1 4643/4885MCHR1 4513/4885ALDH1A1 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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