SCHEMBL899644

SCHEMBL899644

COc1ccc(-c2nsc(C)c2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.52
GRM1 Q13255 2/20 0.47
GRM5 P41594 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.46
RECQL P46063 1/20 0.46
PTGS2 P35354 1/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL12691935 0.84 KDR (0.49) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL13615444 0.83 POLB (0.58) BACE1ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL3294243 0.83 DHODH (0.43) BACE1GRM1ALDH1A1MAPT
SCHEMBL11789345 0.82 PDE10A (0.49) GRM1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL6143587 0.81 DHODH (0.47) BACE1GRM1GRM5MAPTSMN1; SMN2
SCHEMBL3292371 0.80 BACE1 (0.40) BACE1GRM1GRM5ALDH1A1MAPT
SCHEMBL12694216 0.79 ALDH1A1 (0.54) BACE1GRM1GRM5ALDH1A1MAPT
SCHEMBL14710182 0.78 BACE1 (0.42) BACE1ALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL5591211 0.77 BACE1 (0.48) BACE1GRM1GRM5ALDH1A1MAPT
SCHEMBL14710197 0.77 DGAT1 (0.51) BACE1LMNAGAAPOLB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
US-7732434-B2 Macrocyclic acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7732434-B2 Macrocyclic acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7732434-B2 Macrocyclic acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A BACE1 4497/4885GRM1 4099/4885GRM5 3128/4885
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 BACE1 2/4885GRM1 846/4885GRM5 222/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 BACE1 1/4885GRM1 155/4885GRM5 389/4885

“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.