SCHEMBL12145646

SCHEMBL12145646

Cc1nn2c3ccccc3nc2c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
ALDH1A1 P00352 7/20 1.00
LMNA P02545 6/20 1.00
MAPT P10636 6/20 1.00
HSD17B10 Q99714 5/20 1.00
TSHR P16473 5/20 1.00
POLB P06746 3/20 1.00
TP53 P04637 4/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 4/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RAB9A P51151 2/20 0.49
HPGD P15428 5/20 0.45
APAF1 O14727 1/20 0.45
RECQL P46063 1/20 0.45
GPR3 P46089 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL21788575 0.82 KDM4E (0.68) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL13741622 0.79 KDM4E (0.66) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL12145643 0.77 KDM4E (0.62) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL12759656 0.71 HSD17B10 (0.56) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL12071632 0.70 ALDH1A1 (0.68) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL26667284 0.69 RXFP1 (0.69) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL12145490 0.69 KDM4E (0.63) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL12145479 0.68 KDM4E (0.61) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL21065259 0.67 PDE10A (0.50) KDM4EALDH1A1LMNAMAPTHSD17B10
SCHEMBL37035230 0.67 KDM4E (0.61) KDM4EALDH1A1LMNAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 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-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885ALDH1A1 3721/4885LMNA 4436/4885

“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.