SCHEMBL208705

SCHEMBL208705

CS(=O)(=O)N1CCN(c2c(Br)cnc(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
RPS6KB1 P23443 2/20 0.34
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL208860 0.83 LMNA (0.49) ABL1BCRALDH1A1KMT2AHTT
SCHEMBL208825 0.81 MAPT (0.45) ALDH1A1KMT2AHTTMAPTLMNA
SCHEMBL209374 0.79 ABL1 (0.39) ABL1BCRALDH1A1KMT2AHTT
SCHEMBL209373 0.79 ABL1 (0.39) ABL1BCRALDH1A1KMT2AHTT
SCHEMBL209446 0.79 MEN1 (0.48) ALDH1A1CYP2C9CYP1A2CYP2C19KMT2A
SCHEMBL208346 0.79 AURKA (0.42) ALDH1A1KMT2AHTTMAPTLMNA
SCHEMBL209456 0.76 AURKA (0.41) ALDH1A1CYP2C19KMT2AHTTMAPT
SCHEMBL209811 0.75 KCNH2 (0.53) ALDH1A1KMT2AMAPTLMNACCNT1
SCHEMBL209733 0.75 TRPC5 (0.44) ALDH1A1HTTMAPTRAB9ARPS6KB1
SCHEMBL209888 0.74 TRPC5 (0.40) CYP2C19HTTMAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963315-B1 ENZYME INHIBITORS CANCER REC TECH LTD (GB) 2014-10-08 EP disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-8088761-B2 Enzyme inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-01-03 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
US-20090247507-A1 Enzyme Inhibitors THE INSTITUTE OF CANCER RESEARCH (GB) 2009-10-01 US disclosed
EP-1963315-A2 ENZYME INHIBITORS The Institute of Cancer Research (GB) 2008-09-03 EP disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 WO disclosed
WO-2007072017-A2 ENZYME INHIBITORS THE INSTITUTE OF CANCER RESEARCH (GB) 2007-06-28 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-20090247507-A1 Enzyme Inhibitors AURKC, AURKB, AURKA ABL1 8/4885BCR 275/4885ALDH1A1 3015/4885

“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.