SCHEMBL1004571

SCHEMBL1004571

Br[Mg]c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
SLC22A2 O15244 1/20 0.45
LTA4H P09960 5/20 0.45
IDH1 O75874 1/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G2A P14555 1/20 0.42
LMNA P02545 1/20 0.42
TRPA1 O75762 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP2C9 P11712 1/20 0.37
HNF4A P41235 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37

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
SCHEMBL972712 0.79 CALM1 (0.92) CALM1SLC22A2LTA4HIDH1PLA2G10
SCHEMBL8094422 0.79 CALM1 (0.92) CALM1SLC22A2LTA4HIDH1PLA2G10
SCHEMBL5450 0.76
Hydrochloric Acid SCHEMBL27978245 0.76 CALM1 (0.86) CALM1SLC22A2LTA4HIDH1PLA2G10
Diphenylmethane SCHEMBL14763944 0.76 CALM1 (1.00) CALM1SLC22A2LTA4HIDH1PLA2G10
Diphenylmethane SCHEMBL3792579 0.76 CALM1 (1.00) CALM1SLC22A2LTA4HIDH1PLA2G10
Diphenylmethane SCHEMBL4361124 0.76 CALM1 (1.00) CALM1SLC22A2LTA4HIDH1PLA2G10
Diphenylmethane SCHEMBL1303 0.76 CALM1 (1.00) CALM1SLC22A2LTA4HIDH1PLA2G10
Diphenylmethane SCHEMBL28172316 0.76 CALM1 (1.00) CALM1SLC22A2LTA4HIDH1PLA2G10
SCHEMBL10318927 0.74 TSHR (0.39) CALM1SLC22A2TRPA1ALDH1A1TSHR

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-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 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-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE CALM1 1005/4885SLC22A2 4376/4885LTA4H 568/4885

“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.