SCHEMBL7307662

SCHEMBL7307662

N#Cc1cccc(C(Br)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GSK3B P49841 2/20 0.46
TRPA1 O75762 1/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ENPP2 Q13822 1/20 0.40
TNF P01375 1/20 0.40
KCNA5 P22460 1/20 0.39
CNR1 P21554 5/20 0.39
CNR2 P34972 2/20 0.39
GRM4 Q14833 1/20 0.39
TACR1 P25103 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39

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
SCHEMBL30961612 1.00 TSHR (0.48) TSHRGSK3BTRPA1SLC6A2SLC6A4
SCHEMBL11615116 0.94 GSK3B (0.50) TSHRGSK3BTRPA1SLC6A2SLC6A4
SCHEMBL1500561 0.91 GSK3B (0.45) TSHRGSK3BTRPA1ALDH1A1MAPT
SCHEMBL1500593 0.86 CNR1 (0.47) CNR1CNR2
SCHEMBL7522165 0.82 TSHR (0.54) TSHRGSK3BTRPA1ALDH1A1
SCHEMBL3882898 0.82 GSK3B (0.50) TSHRGSK3BTRPA1SLC6A2SLC6A4
SCHEMBL30583585 0.78 GSK3B (0.47) GSK3BENPP2CNR1CNR2
SCHEMBL27948985 0.78 GSK3B (0.51) TSHRGSK3BTRPA1ALDH1A1MAPT
SCHEMBL6965820 0.78 TRPA1 (0.57) TSHRGSK3BTRPA1ENPP2TNF
SCHEMBL2058684 0.78 GSK3B (0.47) GSK3BENPP2CNR1CNR2

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-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 TSHR 4747/4885GSK3B 4630/4885TRPA1 3311/4885

“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.