SCHEMBL3298748

SCHEMBL3298748

COC(=O)c1cc(Br)c(F)c(N)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
POLB P06746 2/20 0.50
SOS1 Q07889 1/20 0.47
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
GAA P10253 4/20 0.39
HSD17B10 Q99714 5/20 0.38
MAPT P10636 3/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
CFTR P13569 3/20 0.38
MEN1 O00255 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
SCHEMBL29023133 0.83 KDM4E (0.51) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL19330633 0.82 SOS1 (0.50) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL31639126 0.81 SOS1 (0.49) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL27186646 0.78 SOS1 (0.57) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL27836202 0.78 KDM4E (0.53) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL3296136 0.77 SMN1; SMN2 (0.48) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL31502301 0.76 SOS1 (0.54) KDM4ESOS1ALDH1A1HPGDNPSR1
SCHEMBL3709174 0.76 HSD17B10 (0.49) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL24820036 0.76 SOS1 (0.48) KDM4EPOLBSOS1ALDH1A1HPGD
SCHEMBL17201267 0.76 SOS1 (0.48) KDM4EPOLBSOS1ALDH1A1HPGD

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 KDM4E 1665/4885POLB 1706/4885SOS1 2013/4885

“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.