SCHEMBL1864564

SCHEMBL1864564

C[Si](C)(C)c1cc2c(Br)cccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.39
TERT O14746 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2C19 P33261 4/20 0.33
NOS1 P29475 1/20 0.32
AXL P30530 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL5035815 0.76 CYP1A1 (0.40) F2RL3TERTMEN1KMT2AMAOA
SCHEMBL16632533 0.75 MAOA (0.37) F2RL3TERTMEN1KMT2ANPC1
SCHEMBL9569769 0.74 CA2 (0.47) MEN1KMT2ACYP2C9MAPK1
SCHEMBL31070421 0.74 MEN1 (0.36) F2RL3TERTMEN1KMT2ANPC1
SCHEMBL29208144 0.74 MEN1 (0.36) F2RL3TERTMEN1KMT2ANPC1
SCHEMBL21951007 0.73 KDM4E (0.54) TERTMEN1KMT2ANPC1RAB9A
SCHEMBL12278178 0.73 PIM1 (0.34) MEN1KMT2ANPC1RAB9ACYP2C19
SCHEMBL2091286 0.72 MAOA (0.35) F2RL3TERTMEN1KMT2ANPC1
SCHEMBL30421443 0.72 AHR (0.38) F2RL3TERTMEN1KMT2ANPC1
SCHEMBL5034819 0.72 FLT3 (0.52) MEN1KMT2ANPC1RAB9ACYP2C19

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 18 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-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 US disclosed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 CN disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 US disclosed
US-7858624-B2 Piperidine and morpholine renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-12-28 US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 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
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 US disclosed
EP-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
CN-101072561-A Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC (US) 2007-11-14 CN disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed
EP-0560554-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-09-15 EP disclosed
US-5169860-A Benzofuran or benzothiophene arylsulfonylureas ELI LILLY AND COMPANY (US) 1992-12-08 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 (5 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE F2RL3 192/4885TERT 4420/4885MEN1 2596/4885
US-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 F2RL3 199/4885TERT 2746/4885MEN1 2976/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE F2RL3 192/4885TERT 4420/4885MEN1 2596/4885
US-20090264432-A1 Piperidine and Morpholine Renin Inhibitors REN, ACE, PREP F2RL3 344/4885TERT 2621/4885MEN1 1913/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 F2RL3 299/4885TERT 3333/4885MEN1 2421/4885

“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.