SCHEMBL3052193

SCHEMBL3052193

COc1cccc(CN2Cc3cc(OC)c(S(N)(=O)=O)cc3C(OC)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
ACHE P22303 6/20 0.41
DHCR7 Q9UBM7 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 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
SCHEMBL3041403 0.92 DHCR7 (0.42) SIGMAR1ACHEDHCR7MEN1KMT2A
SCHEMBL3062677 0.89 ABCB1 (0.46) ACHEKMT2ACA2CA9
SCHEMBL3059124 0.81 ABCB1 (0.44) ACHEKMT2ACA2CA9
SCHEMBL3042196 0.81 DHCR7 (0.58) SIGMAR1DHCR7KMT2AKDM4EHTR1A
SCHEMBL3062097 0.77 CA9 (0.51) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL3046501 0.75 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL3046693 0.75 CA2 (0.47) SIGMAR1ACHEDHCR7MEN1KMT2A
SCHEMBL3055394 0.74 DHCR7 (0.54) SIGMAR1ACHEDHCR7MEN1KMT2A
SCHEMBL3055597 0.74 REV1 (0.51) DHCR7KMT2AKDM4ELMNAMAPT
SCHEMBL3049199 0.74 REV1 (0.53) SIGMAR1DHCR7MEN1KMT2AALDH1A1

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-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

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 SIGMAR1 4163/4885ACHE 3175/4885DHCR7 421/4885

“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.