SCHEMBL3300050

SCHEMBL3300050

COc1c(F)cc(C)c(C(=O)O)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 4/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
ACHE P22303 1/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30805785 0.81 KMT2A (0.43) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL27302869 0.81 KMT2A (0.43) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL3299105 0.80 HSD17B10 (0.47) KMT2AMEN1GFERPOLBCYP3A4
SCHEMBL27303319 0.79 KMT2A (0.44) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL30699474 0.79 KDM4E (0.41) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL15845680 0.76 DHODH (0.43)
SCHEMBL31728519 0.75 HSD17B10 (0.42) KMT2AMEN1POLBHPGDCYP2C9
SCHEMBL27926980 0.74 CYP3A4 (0.46) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL34473355 0.73 KMT2A (0.40) KMT2AMEN1GFERSMN1; SMN2POLB
SCHEMBL29411714 0.72 MEN1 (0.44) KMT2AMEN1GFERSMN1; SMN2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737166-B2 Antifungal bicyclic hetero ring compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-06-15 US disclosed
US-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-04 US disclosed
EP-1932837-A1 BICYCLO HETEROCYCLIC COMPOUND HAVING ANTIFUNGAL ACTION Daiichi Sankyo Company, Limited (JP) 2008-06-18 EP 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-20090143353-A1 such as 2-tert-Butyl-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile hydrochloride, a 1,6-beta-glucan synthetase inhibitor having potent growth inhibition, used treating a fungal infections; fungicides CTPS1, TPP1, STS KMT2A 3159/4885MEN1 1642/4885GFER 3483/4885

“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.