SCHEMBL841946

SCHEMBL841946

CCn1nc(C)c(Br)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.42
GAA P10253 2/20 0.42
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR3C1 P04150 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL101951 0.84 ALDH1A1 (0.41) KDM4EMAPTAPAF1ALDH1A1SMN1; SMN2
SCHEMBL31613001 0.83 IKBKB (0.37) KDM4EGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL14589125 0.82 KDM4E (0.51) KDM4EMAPTGAAAPAF1ALDH1A1
SCHEMBL1326752 0.82 KDM4E (0.51) KDM4EMAPTGAAAPAF1ALDH1A1
SCHEMBL106227 0.81 KDM4E (0.38) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL17163996 0.81 GAA (0.44) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL102723 0.81 KMT2A (0.46) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL105205 0.81 SMN1; SMN2 (0.38) KDM4EMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL15273727 0.81 APAF1 (0.43) KDM4EMAPTGAAAPAF1ALDH1A1
SCHEMBL3049322 0.81 KDM4E (0.53) KDM4EMAPTGAAAPAF1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396329-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-10-29 EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2396329-A1 Compounds for the treatment of hepatitis c Bristol-Myers Squibb Company (US) 2011-12-21 EP disclosed
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 WO disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 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-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KDM4E 3736/4885MAPT 4368/4885GAA 267/4885

“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.