SCHEMBL8550929

SCHEMBL8550929

O=C(CBr)CCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
HDAC1 Q13547 6/20 0.57
HDAC2 Q92769 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ALOX5 P09917 3/20 0.56
FAAH O00519 3/20 0.54
CES1 P23141 3/20 0.54

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
SCHEMBL20378794 0.98 MAPT (0.67) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL12813508 0.98 MAPT (0.67) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL8102562 0.98 MAPT (0.67) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7076078 0.94 HDAC1 (0.64) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL4886613 0.88 MAPT (0.73) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11137519 0.86 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL1508071 0.86 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL191218 0.86 KEAP1 (0.61) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28609434 0.86 MAPT (0.77) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL19625551 0.84 MAPT (0.68) MAPTRXFP1HDAC1HDAC2HDAC3

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
US-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS F2G LIMITED (GB) 2018-07-19 US disclosed
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 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 (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-20180201592-A1 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS NAT1, DPM1, IL4I1 MAPT 103/4885RXFP1 3439/4885HDAC1 2572/4885

“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.