SCHEMBL11943863

SCHEMBL11943863

CCOCCOc1c(N2CCN(c3ncc([N+](=O)[O-])s3)CC2)cnn(-c2cccc(C)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 4/20 0.38
▸ MCHR1 Q99705 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A2 P11168 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL11943847 0.80 ALDH1A1 (0.43) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11943979 0.78 MAPT (0.42) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11943815 0.78 NPC1 (0.46) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11945118 0.77 POLB (0.44) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11945103 0.77 MAPT (0.41) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11945108 0.76 MAPT (0.49) NPBWR1MCHR1NPC1RAB9APAX8
SCHEMBL11943539 0.73 SMN1; SMN2 (0.58) NPBWR1NPC1RAB9AALDH1A1CYP3A4
SCHEMBL11943994 0.72 POLB (0.45) NPBWR1MCHR1ALDH1A1CYP3A4CYP1A2
SCHEMBL11943548 0.72 NPBWR1 (0.45) NPBWR1MCHR1ALDH1A1CYP3A4CYP1A2
SCHEMBL11945071 0.72 ALDH1A1 (0.54) NPBWR1MCHR1ALDH1A1CYP3A4SMN1; SMN2

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 NPBWR1 4643/4885MCHR1 4513/4885NPC1 2179/4885

“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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