SCHEMBL21894546

SCHEMBL21894546

CC(CN)C(=O)c1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.52
TPMT P51580 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CHRM2 P08172 2/20 0.38
ADRA2B P18089 2/20 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
SCHEMBL11596652 0.82 CHRM2 (0.54) GSK3BSLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL9323588 0.80 PGR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1964826 0.77 GSK3B (0.61) GSK3BTPMTSLC6A2SLC6A4SLC6A3
SCHEMBL27749830 0.77 HDAC3 (0.37) SLC6A2SLC6A4SLC6A3HDAC3HDAC4
SCHEMBL9780540 0.77 GSK3B (0.56) GSK3BSLC6A4LMNA
SCHEMBL5757857 0.74 GSK3B (0.69) GSK3BTPMTSLC6A2SLC6A4SLC6A3
SCHEMBL11833111 0.72 TDP1 (0.41) SLC6A2SLC6A4SLC6A3CHRM2ADRA2B
SCHEMBL23714005 0.71 SLC6A2 (0.45) GSK3BSLC6A2SLC6A4SLC6A3HDAC3
SCHEMBL10863659 0.70 GAA (0.46) GSK3BSLC6A2SLC6A4SLC6A3CA1
SCHEMBL24221611 0.70 LMNA (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-3858351-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FIBROSIS LTT Bio-Pharma Co., Ltd. (JP) 2021-08-04 EP disclosed
US-20210198199-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FIBROSIS LTT BIO-PHARMA CO., LTD. (JP) 2021-07-01 US disclosed
WO-2020067333-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FIBROSIS 株式会社LTTバイオファーマ 2020-04-02 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-20210198199-A1 PHARMACEUTICAL COMPOSITION FOR TREATING FIBROSIS CFTR, CCL11, MMP1 GSK3B 1194/4885TPMT 4294/4885SLC6A2 4552/4885

“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.