SCHEMBL12759709

SCHEMBL12759709

Cc1nc(-c2ccccc2Br)n(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.51
MC4R P32245 1/20 0.49
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MPI P34949 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL26545543 0.75 MC4R (0.56) MC4RALDH1A1SMN1; SMN2PDE10AKDM4E
SCHEMBL228955 0.75 ALDH1A1 (0.56) HSD11B1MAPK1ALDH1A1NPC1RAB9A
SCHEMBL14528595 0.71 FABP4 (0.50) HSD11B1MAPK1ALDH1A1NPC1RAB9A
SCHEMBL27690602 0.71 ATM (0.46) HSD11B1ALDH1A1NPC1RAB9ATP53
SCHEMBL2748325 0.70 HSD11B1 (0.70) HSD11B1MAPK1ALDH1A1NPC1RAB9A
SCHEMBL15876194 0.69 HSD11B1 (0.54) HSD11B1ALDH1A1NPC1RAB9ATP53
SCHEMBL24820549 0.69 HSD11B1 (0.63) HSD11B1MAPK1ALDH1A1NPC1RAB9A
SCHEMBL29473265 0.68 HSD11B1 (0.49) HSD11B1ALDH1A1NPC1RAB9ATP53
SCHEMBL2746814 0.68 HSD11B1 (1.00) HSD11B1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL26397383 0.67 MEN1 (0.35) MC4RALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device UDC IRELAND LTD (IE) 2015-10-29 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-9062084-B2 Method of forming metal complex compound, and organic electroluminescence device UDC Ireland (IE) 2015-06-23 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 US disclosed
US-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2011-03-03 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-20110050093-A1 METHOD OF FORMING METAL COMPLEX COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE ZFR, PORCN, OR10J3 HSD11B1 4090/4885MC4R 3700/4885MAPK1 3943/4885
US-20150311455-A1 Method Of Forming Metal Complex Compound, And Organic Electroluminescence Device ZFR, PORCN, OR10J3 HSD11B1 4090/4885MC4R 3700/4885MAPK1 3943/4885

“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.