SCHEMBL2552754

SCHEMBL2552754

CN(C)CCCS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
HTR6 P50406 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 2/20 0.39
ATM Q13315 1/20 0.38
THRA P10827 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
SLC6A4 P31645 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17364184 0.85 ATM (0.45) ALDH1A1KMT2AATM
SCHEMBL21552200 0.84 KMT2A (0.46) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL1710715 0.82 ATM (0.41) ALDH1A1ATMTDP1
SCHEMBL5098398 0.80 PLCG1 (0.52) ALDH1A1KMT2ATAAR1KDM4ETHRB
SCHEMBL2555899 0.80 ATM (0.42) ALDH1A1KMT2AATM
SCHEMBL2549612 0.79 THRB (0.38) ALDH1A1MAPTKMT2AHTR6THRB
SCHEMBL1369364 0.79 CA2 (0.50) ATM
SCHEMBL263686 0.78 ATM (0.46) ALDH1A1ATMTDP1
SCHEMBL1369921 0.78 CA2 (0.47) ATM
SCHEMBL24591935 0.78 KMT2A (0.39) ALDH1A1MAPTKMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481536-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2013-07-09 US disclosed
US-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-12-01 US disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 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-20110294796-A1 BENZOTRIAZINE INHIBITORS OF KINASES SRC, CAMK4, CAMK2G ALDH1A1 3789/4885MAPT 3907/4885KMT2A 1819/4885

“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.