SCHEMBL2533406

SCHEMBL2533406

Cc1ccc(N(c2ccc(N(c3ccccc3C)c3ccc(C)cc3C)cc2)c2ccccc2C)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 2/20 0.38
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ACHE P22303 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL13308455 0.90 INSR (0.40) SMN1; SMN2LMNAALDH1A1
SCHEMBL15768617 0.88 MEN1 (0.38) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL29573024 0.88 MEN1 (0.38) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL14047730 0.88 SMN1; SMN2 (0.35) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL20149501 0.88 ALDH1A1 (0.42) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL13480247 0.88 TSHR (0.42) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL7769888 0.87 HSD17B1 (0.38) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL19270230 0.86 TDP1 (0.39) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL19958560 0.86 ALDH1A1 (0.41) CYP1A2CYP2A6MAPTTP53SMN1; SMN2
SCHEMBL8943789 0.85 ACHE (0.45) CYP1A2CYP2A6MAPTTP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694744-B1 OLIGOMERS AND POLYMERS MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
EP-1694744-B1 OLIGOMERS AND POLYMERS MERCK PATENT GMBH (DE) 2015-03-04 EP disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-8043722-B2 Arylene or heteroarylene groups separated by a nitrogen or phosphorus atom; optical device, electroluminescent device, switching device, field effect transistor insulator, integrated circuit MERCK PATENT GMBH (DE) 2011-10-25 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080217605-A1 Oligomers and Polymers MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
EP-1694744-A1 OLIGOMERS AND POLYMERS MERCK PATENT GmbH (DE) 2006-08-30 EP disclosed
WO-2005056638-A1 OLIGOMERS AND POLYMERS MERCK PATENT GMBH (DE) 2005-06-23 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-20080217605-A1 Oligomers and Polymers AR, ARPC3, NMRAL1 CYP1A2 2375/4885CYP2A6 3695/4885MAPT 344/4885

“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.