SCHEMBL30186261

SCHEMBL30186261

ClBOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.46
ALDH1A1 P00352 3/20 0.45
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CALM1 P0DP23 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 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
SCHEMBL723193 0.79 TSHR (0.57) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1690445 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL907608 0.75 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL29866628 0.71 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL6132100 0.71 IDO1 (0.56) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7712856 0.71 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1162782 0.71 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL462297 0.70
SCHEMBL820880 0.70
SCHEMBL7592938 0.70 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1

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-11583590-B2 Antibody-pyrrolobenzodiazepine derivative conjugate and method of use thereof for treating a tumor DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-21 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-11583590-B2 Antibody-pyrrolobenzodiazepine derivative conjugate and method of use thereof for treating a tumor EPCAM, PDCD6, CNTN1 TSHR 1841/4885IDO1 3138/4885AGXT 4594/4885

“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.