SCHEMBL517256

SCHEMBL517256

Cc1ccc(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL516526 0.95 MT-CO2 (0.40) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7927992 0.93 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13148722 0.93 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL922803 0.93 MT-CO2 (0.46) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21401590 0.92 MT-CO2 (0.47) MT-CO2ALDH1A1RAB9AL3MBTL1CYP2C9
SCHEMBL28440815 0.87 ATM (0.46) MT-CO2NPC1RAB9ASMN1; SMN2RECQL
SCHEMBL12606469 0.87 MT-CO2 (0.44) MT-CO2ALDH1A1L3MBTL1CYP2C9CYP2C19
SCHEMBL7930497 0.86 MT-CO2 (0.41) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7929176 0.84 RAB9A (0.50) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL16523071 0.84 KDM4E (0.40) MT-CO2ALDH1A1NPC1RAB9ASMN1; SMN2

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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 US disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 US disclosed
US-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES THE UNIVERSITY OF ULM (DE) 2012-02-02 US disclosed
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices MERCK PATENT GMBH (DE) 2008-02-14 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 (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-20120024382-A1 NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES DDT, DCX, PIN1 MT-CO2 2791/4885ALDH1A1 1940/4885NPC1 1742/4885
US-20080039581-A1 Triarylamine Compounds, Compositions and Devices RER1, F3, PRMT1 MT-CO2 2795/4885ALDH1A1 980/4885NPC1 1624/4885

“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.