SCHEMBL11943840

SCHEMBL11943840

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ MCHR1 Q99705 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
SCHEMBL11943836 0.91 ALDH1A1 (0.47) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL11943849 0.89 ALDH1A1 (0.52) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11943838 0.88 ALDH1A1 (0.58) KMT2AMEN1MAPTSMN1; SMN2LMNA
SCHEMBL11943833 0.88 SMO (0.48) KMT2AMEN1NPSR1MAPTSMN1; SMN2
SCHEMBL11943479 0.84 KMT2A (0.49) KMT2AMEN1NPSR1CYP1A2CYP3A4
SCHEMBL11943846 0.84 ALDH1A1 (0.51) KMT2AMEN1NPSR1MAPTSMN1; SMN2
SCHEMBL11945073 0.83 ALDH1A1 (0.46) KMT2AMEN1NPSR1CYP3A4CYP2C19
SCHEMBL11943952 0.81 MAPT (0.44) KMT2AMEN1NPSR1CYP3A4CYP2C19
SCHEMBL11943814 0.81 NPBWR1 (0.47) KMT2ANPSR1MAPTLMNATSHR
SCHEMBL11943847 0.80 ALDH1A1 (0.43) KMT2AMEN1NPSR1SMN1; SMN2LMNA

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 KMT2A 3312/4885MEN1 1830/4885NPSR1 4251/4885

“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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