SCHEMBL3046501

SCHEMBL3046501

CCOC1CN(Cc2ccccc2OC)Cc2cc(OC)c(S(N)(=O)=O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
CYP2D6 P10635 5/20 0.39
TSHR P16473 1/20 0.39
COMT P21964 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GNAI3 P08754 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTT P42858 1/20 0.36
DRD2 P14416 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
SCHEMBL3059124 0.84 ABCB1 (0.44) KMT2A
SCHEMBL3062097 0.84 CA9 (0.51) KMT2AKDM4EALDH1A1MEN1TSHR
SCHEMBL3041403 0.83 DHCR7 (0.42) KMT2AKDM4EALDH1A1MEN1HTT
SCHEMBL3051373 0.78 DRD3 (0.54) KMT2AKDM4ETSHRDRD2DRD4
SCHEMBL3062677 0.76 ABCB1 (0.46) KMT2A
SCHEMBL3052193 0.75 SIGMAR1 (0.42) KMT2AKDM4EALDH1A1MEN1HTT
SCHEMBL3058767 0.69 KDM4E (0.55) KMT2AKDM4EALDH1A1MEN1TSHR
SCHEMBL3049004 0.67 USP2 (0.43) KMT2AKDM4EMEN1TSHRPTGES2
SCHEMBL3061675 0.66 REV1 (0.61) KMT2AKDM4EALDH1A1HTT
SCHEMBL3045905 0.66 KDM4E (0.52) KDM4ETSHRDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 924/4885KDM4E 1083/4885ALDH1A1 1517/4885

“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.