SCHEMBL2011613

SCHEMBL2011613

Fc1ccc(C=C(Br)Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.55
TRPA1 O75762 7/20 0.46
ABCB11 O95342 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HSD11B1 P28845 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PTGS1 P23219 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12631442 0.80 FBP1 (0.52) FBP1TRPA1ABCB11SIGMAR1HSD11B1
SCHEMBL31393473 0.78 TP53 (0.43) FBP1TRPA1MAPTALDH1A1HTT
SCHEMBL38655327 0.77 FBP1 (0.53) FBP1TRPA1ABCB11SIGMAR1HSD11B1
SCHEMBL3033090 0.76 CYP2A6 (0.44) MAPTALDH1A1MEN1LMNACYP2C9
SCHEMBL3754984 0.76 ESR1 (0.54) MAPTALDH1A1PTGS1MEN1LMNA
SCHEMBL29043044 0.76 FBP1 (0.47) FBP1TRPA1ABCB11SIGMAR1HSD11B1
SCHEMBL1503839 0.74 TRPA1 (0.52) FBP1TRPA1ALDH1A1HTTLMNA
SCHEMBL9517758 0.74 ALDH5A1 (0.52) FBP1ALDH1A1
SCHEMBL26156777 0.74 TRPA1 (0.50) FBP1TRPA1ABCB11SIGMAR1HSD11B1
SCHEMBL10831971 0.74 CYP2A6 (0.46) MAPTALDH1A1NFE2L2PTGS1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702593-A Preparation method and application of bisacylhydrazone derivative 沈阳药科大学 2024-09-27 CN disclosed
CN-112010795-A Synthesis method of 2-alkynylselenocyclohexanol compound 温州医科大学 2020-12-01 CN disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9458155-B2 Pyrido[4,3-b]indoles containing rigid moieties MEDIVATION TECHNOLOGIES, INC (US) 2016-10-04 US disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
US-9096498-B2 CuCN-mediated one pot production of cinnamonitrile derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-04 US disclosed
CN-102271508-B Pyrido (4,3-b) indoles containing rigid moieties MEDIVATION TECHNOLOGIES INC 2015-04-29 CN disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
US-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2015-02-19 US disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO disclosed
WO-2010051501-A1 PYRIDO (4,3-B) INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20150051218-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A FBP1 2693/4885TRPA1 417/4885ABCB11 4553/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 FBP1 4208/4885TRPA1 3059/4885ABCB11 2376/4885

“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.