SCHEMBL4235140

SCHEMBL4235140

O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 0.67
TGM1 P22735 12/20 0.67
F13A1 P00488 11/20 0.67
TGM3 Q08188 1/20 0.59
PKM P14618 2/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10064223 0.91 TGM2 (0.70) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL3971768 0.88 TGM2 (0.69) TGM2TGM1F13A1TGM3PKM
SCHEMBL1872113 0.88 TGM2 (0.67) TGM2TGM1F13A1TGM3PKM
SCHEMBL5253097 0.88 POLB (0.71) TGM2TGM1F13A1TGM3PKM
SCHEMBL26104923 0.88 TGM2 (0.67) TGM2TGM1F13A1TGM3PKM
SCHEMBL17277447 0.88 TGM2 (0.69) TGM2TGM1F13A1TGM3PKM
SCHEMBL12061638 0.85 TGM2 (0.63) TGM2TGM1F13A1TGM3PKM
SCHEMBL1871457 0.85 ALDH1A1 (0.70) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL932229 0.83 TGM2 (0.63) TGM2TGM1F13A1TGM3PKM
SCHEMBL25381627 0.83 TGM2 (0.76) TGM2TGM1F13A1TGM3KMT2A

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
US-8377948-B2 Antitumor agents and methods of their use THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-19 US disclosed
US-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-02-19 US disclosed
WO-2006002088-A2 AMINO-QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-01-05 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-20090048265-A1 NOVEL ANTITUMOR AGENTS AND METHODS OF THEIR USE ADRB1, ADRA2A, ADRA1A TGM2 3829/4885TGM1 3530/4885F13A1 4259/4885

“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.