SCHEMBL7843729

SCHEMBL7843729

CCOc1c(Br)cccc1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
F2R P25116 2/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
ABL1 P00519 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
RIN1 Q13671 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HCRTR1 O43613 2/20 0.37
MIF P14174 1/20 0.36

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
SCHEMBL21828877 0.85 HSD17B10 (0.51) THRBALDH1A1TSHRHSD17B10F2R
SCHEMBL20472204 0.84 THRA (0.50) THRBALDH1A1TSHRHSD17B10MAPT
SCHEMBL21828849 0.82 TSHR (0.43) THRBALDH1A1TSHRHSD17B10F2R
SCHEMBL23383480 0.82 THRB (0.46) THRBALDH1A1HPGDHTTMAPT
SCHEMBL11550861 0.81 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HPGDHTT
SCHEMBL27574878 0.81 HCRTR1 (0.49) TSHRHTTMAPTKMT2AMEN1
SCHEMBL1515828 0.81 HSD17B10 (0.43) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL16960803 0.81 THRB (0.38) THRBALDH1A1TSHRHSD17B10F2R
SCHEMBL2200714 0.80 THRB (0.42) THRBALDH1A1TSHRHSD17B10HPGD
SCHEMBL20472096 0.80 LIG1 (0.46) ALDH1A1TSHRHSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 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-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A THRB 3435/4885ALDH1A1 494/4885TSHR 4289/4885

“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.