SCHEMBL18397706

SCHEMBL18397706

N#Cc1ccc(Br)cc1C=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40
MIF P14174 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P4HB P07237 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
SCHEMBL18397705 1.00 EIF2AK2 (0.45) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1
SCHEMBL8187374 0.89 EIF2AK2 (0.44) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1
SCHEMBL8187372 0.89 EIF2AK2 (0.44) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1
SCHEMBL6010545 0.81 MIF (0.56) CA1CA2NFKB1CA4MIF
SCHEMBL11360218 0.80 NOS2 (0.48) CA1CA2NFKB1CA4MIF
SCHEMBL11360222 0.80 NOS2 (0.48) CA1CA2NFKB1CA4MIF
SCHEMBL5862648 0.79 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1
SCHEMBL5862650 0.79 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1
SCHEMBL448705 0.77 CA1 (0.56) CA1CA2NFKB1CA4SLC22A12
SCHEMBL3864311 0.77 ERN1 (0.58) EIF2AK2CSNK2A2CSNK2BCSNK2A1CA1

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-20180215740-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2018-08-02 US disclosed
EP-3325439-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2018-05-30 EP disclosed
WO-2017012938-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES BASF SE (DE) 2017-01-26 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-20180215740-A1 PARA-SUBSTITUTED INDANYL AND TETRALINYL DERIVATIVES CYP4F2, INTS6, CYP11B2 EIF2AK2 1401/4885CSNK2A2 465/4885CSNK2B 475/4885

“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.