SCHEMBL9980337

SCHEMBL9980337

O=CNCC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
GAA P10253 1/20 0.58
GSK3B P49841 3/20 0.53
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HAO1 Q9UJM8 1/20 0.47
OGG1 O15527 1/20 0.47
HPGD P15428 3/20 0.45
KMT2A Q03164 3/20 0.45
CES2 O00748 1/20 0.45

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
SCHEMBL3846983 0.81 MAPT (0.58) ALDH1A1MAPTHPGDKMT2ACES2
SCHEMBL23014514 0.81 GSK3B (0.53) ALDH1A1MAPTGSK3BKMT2ACES2
SCHEMBL26114568 0.81 KMT2A (0.53) ALDH1A1MAPTGAAGSK3BHDAC1
SCHEMBL350086 0.80 ALDH1A1 (0.62) ALDH1A1MAPTGAAGSK3BHPGD
Hydrochloric Acid SCHEMBL3856154 0.79 MAPT (0.56) ALDH1A1MAPTHPGDKMT2ACES2
SCHEMBL12098895 0.78 GSK3B (0.59) ALDH1A1MAPTGAAGSK3BHDAC1
SCHEMBL2295966 0.77 GSK3B (0.53) ALDH1A1MAPTGAAGSK3BHDAC1
SCHEMBL1305020 0.77 GSK3B (0.70) MAPTGSK3BHDAC1HDAC8HDAC3
SCHEMBL2298280 0.77 SMN1; SMN2 (0.50) ALDH1A1MAPTGAAGSK3BHDAC1
SCHEMBL3852942 0.77 HDAC1 (0.56) ALDH1A1MAPTGSK3BHDAC1HDAC8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (1 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-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885MAPT 2923/4885GAA 151/4885

“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.