SCHEMBL6001553

SCHEMBL6001553

CC(C)(C)c1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
C5AR1 P21730 1/20 0.48
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PNMT P11086 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CLPP Q16740 3/20 0.41
BRS3 P32247 1/20 0.41
SLC6A5 Q9Y345 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
SCHEMBL3134731 0.88 KMT2A (0.52) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL5999840 0.84 KMT2A (0.56) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL1831804 0.83 C5AR1 (0.60) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL31095294 0.83 C5AR1 (0.60) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL5776588 0.81 KMT2A (0.53) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL29486422 0.81 KMT2A (0.58) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL29888556 0.81 KMT2A (0.55) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL10036330 0.81 KMT2A (0.55) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL19959258 0.81 KMT2A (0.58) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL4863713 0.80 KMT2A (0.52) KMT2AKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 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 (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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 KMT2A 2861/4885KDM4E 3617/4885ALDH1A1 686/4885

“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.