SCHEMBL3570866

SCHEMBL3570866

Cc1ccc(-c2c(Cl)cccc2Br)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.42
CACNG8 Q8WXS5 4/20 0.42
SRC P12931 1/20 0.37
ESR2 Q92731 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
EGFR P00533 3/20 0.33
MAPT P10636 1/20 0.33
FABP4 P15090 1/20 0.33
HTR7 P34969 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
PTGS1 P23219 1/20 0.33
HSD11B1 P28845 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
SCHEMBL26493600 0.84 SRC (0.41) GRIA1CACNG8SRCESR2ALDH1A1
SCHEMBL2844519 0.80 L3MBTL1 (0.44) GRIA1CACNG8ALDH1A1FABP4
SCHEMBL3569291 0.76 ALOX5 (0.41) GRIA1CACNG8ESR2TP53
SCHEMBL2850180 0.75 FABP3 (0.49) GRIA1CACNG8ESR2TP53ALDH1A1
SCHEMBL25501416 0.75 CYP1A2 (0.41) GRIA1CACNG8TP53ALDH1A1MAPK14
SCHEMBL17115740 0.75 GRIA1 (0.47) GRIA1CACNG8SRCTP53ALDH1A1
SCHEMBL26191583 0.74 ESR2 (0.41) GRIA1CACNG8ESR2ALDH1A1FABP4
SCHEMBL26191585 0.73 ALDH1A1 (0.44) ESR2ALDH1A1MAPTFABP4
SCHEMBL11454164 0.72 MAPK1 (0.44) ALDH1A1PTGS2MAPTFABP4PTGS1
SCHEMBL2847969 0.72 DYRK1A (0.45) TP53FABP4

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
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO claimed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 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 (3 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 GRIA1 592/4885CACNG8 4538/4885SRC 3621/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP GRIA1 1288/4885CACNG8 2940/4885SRC 4708/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 GRIA1 579/4885CACNG8 4337/4885SRC 4392/4885

“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.