SCHEMBL3301639

SCHEMBL3301639

CC(Br)(Cc1ccccc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
MMP8 P22894 4/20 0.42
BLM P54132 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL3301635 1.00 SLC6A2 (0.52) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
SCHEMBL3818366 0.83 SMN1; SMN2 (0.55) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL3818364 0.83 SMN1; SMN2 (0.55) SLC6A2TAAR1SMN1; SMN2HIF1ACYP3A4
SCHEMBL8759 0.83 SLC6A2 (0.56) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
SCHEMBL27829250 0.82 SLC6A2 (0.54) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
Hydrochloric Acid SCHEMBL3136989 0.82 SLC6A2 (0.54) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
SCHEMBL5320849 0.81 MAPT (0.46) SLC6A2SMN1; SMN2HIF1AMAPTKMT2A
SCHEMBL1059557 0.80 SLC6A2 (0.52) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
SCHEMBL5268840 0.80 SLC6A2 (0.57) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT
SCHEMBL407787 0.80 SLC6A2 (0.57) SLC6A2TAAR1SMN1; SMN2HIF1AMAPT

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-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-08 US disclosed
US-8232267-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-07-31 US disclosed
US-20100093688-A1 Porphyrin catalysts and methods of use thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 US disclosed
WO-2008094222-A2 PORPHYRIN CATALYSTS AND METHODS OF USE THEREOF TRUSTEES OF PRINCETON (US) 2008-08-07 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 (2 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-20120283236-A1 Porphyrin Catalysts and Methods of Use Thereof PPOX, POR, MPO SLC6A2 684/4885TAAR1 3688/4885SMN1; SMN2 4130/4885
US-20100093688-A1 Porphyrin catalysts and methods of use thereof PPOX, POR, MPO SLC6A2 684/4885TAAR1 3688/4885SMN1; SMN2 4130/4885

“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.