SCHEMBL1228546

SCHEMBL1228546

COCCCc1cc(COS(C)(=O)=O)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37
NCF1 P14598 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL11942312 0.83 KDM4E (0.47) RENKDM4EALDH1A1KMT2ATP53
SCHEMBL660585 0.82 KDM4E (0.44) RENKDM4EALDH1A1KMT2ATP53
SCHEMBL5935677 0.76 CYP1A2 (0.49) KDM4EALDH1A1KMT2ACYP1A2NCF1
SCHEMBL664247 0.75 REN (0.42) RENALDH1A1KMT2ATP53NCF1
SCHEMBL661523 0.74 KDM4E (0.41) RENKDM4EALDH1A1KMT2ATP53
SCHEMBL1228082 0.72 KDM4E (0.58) KDM4EALDH1A1KMT2ATP53USP2
SCHEMBL4272930 0.71 ALDH1A1 (0.46) KDM4EALDH1A1KMT2ACYP1A2NCF1
SCHEMBL8281072 0.69 NPC1 (0.48) KDM4EKMT2ATP53SMN1; SMN2GAA
SCHEMBL662410 0.69 KDM4E (0.56) KDM4EALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL1228024 0.68 KCNH2 (0.41) REN

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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KDM4E 3912/4885ALDH1A1 1223/4885

“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.