SCHEMBL1974122

SCHEMBL1974122

COc1ccc(-c2cccc(CCl)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
ABCB1 P08183 2/20 0.46
BCR P11274 2/20 0.46
HDAC4 P56524 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ENPP1 P22413 1/20 0.42
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HTR7 P34969 1/20 0.39
APP P05067 1/20 0.39
NPBWR1 P48145 1/20 0.39
BACE1 P56817 2/20 0.38
RAB9A P51151 2/20 0.38
SYK P43405 2/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL2489493 0.85 HDAC4 (0.50) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL28792762 0.84 ABL1 (0.55) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL9959026 0.83 ABL1 (0.46) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL7024625 0.83 ABL1 (0.46) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL430965 0.83 ABL1 (0.46) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL10319286 0.83 CLK4 (0.41) ABL1ABCB1BCRAPPRAB9A
SCHEMBL1679543 0.81 ABL1 (0.44) ABL1ABCB1BCRHDAC4HDAC2
SCHEMBL27522250 0.78 DPP4 (0.47) HDAC4HDAC2HDAC8ENPP1HTR7
SCHEMBL1443909 0.77 ENPP1 (0.39) ABL1ENPP1FFAR1FFAR4HTR7
SCHEMBL1679371 0.77 ABL1 (0.50) ABL1ABCB1BCRHDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11447478-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-09-20 US disclosed
US-11034687-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
US-20200308166-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2020-10-01 US disclosed
EP-3271355-B1 BACE1 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-29 EP disclosed
US-10723729-B2 BACE1 inhibitors Hoffmann-Le Roche Inc. (US) 2020-07-28 US disclosed
US-10604544-B2 Methods for preparation of bile acids and derivatives thereof INTERCEPT PHARMACEUTICALS, INC. (US) 2020-03-31 US disclosed
US-20190337936-A1 BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-11-07 US disclosed
US-10399969-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-2855469-B1 5-AMINO[1,4]THIAZINES AS BACE 1 INHIBITORS HOFFMANN LA ROCHE (CH) 2019-06-19 EP disclosed
US-20180319787-A1 BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2018-11-08 US disclosed
WO-2012139993-A1 1,3 OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-18 WO disclosed
EP-2509965-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-17 EP disclosed
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2012-10-11 US disclosed
WO-2012119883-A1 1,4 THIAZEPINES/SULFONES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-13 WO disclosed
US-20120225858-A1 1,4 THIAZEPINES/SULFONES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation ABBOTT LABORATORIES 2003-03-20 US disclosed
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 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 (12 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-20190337936-A1 BACE1 INHIBITORS BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-11447478-B2 BACE1 inhibitors BACE1, BACE2, APP ABL1 4646/4885ABCB1 189/4885BCR 3985/4885
US-10399969-B2 BACE1 inhibitors BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-20180319787-A1 BACE1 INHIBITORS BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-20200308166-A1 BACE1 INHIBITORS BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-20120258962-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 ABL1 4479/4885ABCB1 168/4885BCR 4097/4885
US-10723729-B2 BACE1 inhibitors BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-10604544-B2 Methods for preparation of bile acids and derivatives thereof SLC10A2, SLC10A1, NR1H4 ABL1 1028/4885ABCB1 151/4885BCR 2468/4885
US-20120225858-A1 1,4 THIAZEPINES/SULFONES AS BACE1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN2 ABL1 3898/4885ABCB1 71/4885BCR 2089/4885
US-20030055297-A1 An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation NEU4, NEU2, NEU1 ABL1 68/4885ABCB1 2971/4885BCR 573/4885
US-11034687-B2 BACE1 inhibitors BACE1, BACE2, APP ABL1 4597/4885ABCB1 196/4885BCR 3930/4885
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES BACE2, BACE1, APP ABL1 3639/4885ABCB1 369/4885BCR 3952/4885

“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.