SCHEMBL3045905

SCHEMBL3045905

COc1ccc(OC)c(CN2CCc3cc(S(N)(=O)=O)c(OC)cc3C2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ABCB1 P08183 2/20 0.52
ABCC1 P33527 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AB1 P08238 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL3051373 0.87 DRD3 (0.54) KDM4EABCB1MAPTTSHRCA2
SCHEMBL3048961 0.87 ABCB1 (0.69) KDM4EABCB1ABCC1ABCG2CA2
SCHEMBL3058865 0.87 POLB (0.59) KDM4EABCB1ABCC1ABCG2MAPT
SCHEMBL3056068 0.85 KDM4E (0.62) KDM4EABCB1MAPTTSHRCA2
SCHEMBL3042196 0.84 DHCR7 (0.58) KDM4EABCB1ABCC1ABCG2MAPT
SCHEMBL3046471 0.84 CA2 (0.60) KDM4EABCB1ABCC1ABCG2MAPT
SCHEMBL3061589 0.83 KDM4E (0.63) KDM4EABCB1ABCC1ABCG2MAPT
SCHEMBL3056516 0.83 KDM4E (0.66) KDM4EABCB1ABCC1ABCG2MAPT
SCHEMBL3058767 0.82 KDM4E (0.55) KDM4EMAPTTSHRCA2CA9
SCHEMBL3061675 0.81 REV1 (0.61) KDM4EABCB1ABCC1ABCG2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US claimed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
EP-2155192-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS Sterix Limited (GB) 2010-02-24 EP disclosed
WO-2008117061-A2 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LIMITED (GB) 2008-10-02 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-20100222299-A1 COMPOUND MKI67, VHL, MYC KDM4E 1083/4885ABCB1 754/4885ABCC1 3119/4885

“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.