SCHEMBL499545

SCHEMBL499545

CC1(C)COC(c2ccc(F)cc2Br)=N1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
ABL1 P00519 1/20 0.39
IL2 P60568 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL9330422 0.84 ATM (0.48) ATMKDM4EHTTLMNAMAPT
SCHEMBL14743510 0.83 HTT (0.49) ATMKDM4EHTTLMNAMAPT
SCHEMBL8818334 0.82 ATM (0.49) ATMKDM4EHTTLMNAMAPT
SCHEMBL11836656 0.82 ATM (0.58) ATMKDM4EHTTLMNAMAPT
SCHEMBL9607486 0.82 ATM (0.46) ATMKDM4EHTTLMNAMAPT
SCHEMBL9330931 0.81 ATM (0.51) ATMKDM4EHTTLMNAMAPT
SCHEMBL20921262 0.81 KDM4E (0.41) ATMKDM4EHTTLMNAMAPT
SCHEMBL20921291 0.81 KDM4E (0.43) KDM4EHTTLMNAMAPTHRH3
SCHEMBL10441956 0.81 ATM (0.48) ATMKDM4EHTTLMNAMAPT
SCHEMBL8553034 0.79 ATM (0.45) ATMKDM4EHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP ATM 4671/4885KDM4E 2677/4885HTT 1270/4885

“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.