SCHEMBL2995389

SCHEMBL2995389

Cc1ccccc1-c1nnc(C(C)(C)N(C(=O)c2ccccc2)c2ccccc2)n1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.35
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
RECQL P46063 1/20 0.33
TP53 P04637 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2994931 0.88 MEN1 (0.34) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL2991668 0.79 HSD11B1 (0.38) KMT2AKDM4EMEN1MAPTRECQL
SCHEMBL2994411 0.74 HSD11B1 (0.50) HSD11B1SMN1; SMN2
SCHEMBL2991579 0.74 HSD11B1 (0.38) KMT2AKDM4EMEN1MAPTHSD11B1
SCHEMBL22792062 0.72 HSD11B1 (0.46) HSD11B1SMN1; SMN2
SCHEMBL2995518 0.71 HSD11B1 (0.37) KMT2AMEN1HSD11B1
Hydrochloric Acid SCHEMBL2987303 0.69 ALDH1A1 (0.44) KMT2AKDM4EMEN1MAPTHSD11B1
SCHEMBL2991428 0.67 HSD11B1 (0.39) KMT2AMAPTTP53CYP3A4CYP2C19
SCHEMBL2993813 0.67 HSD11B1 (0.52) KDM4EMAPTHSD11B1SMN1; SMN2
SCHEMBL2994768 0.66 HSD11B1 (0.55) KDM4EHSD11B1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776897-B2 such as 3-[1-(5-chloro-2-thienyl)cyclopenty]-5,6,7,8,9,10-hexahydro [1,2,4]triazolo[4,3-a]azocine, having a strong 11 beta -hydroxysteroid dehydrogenase type 1inhibitory activity and exhibiting an excellent blood-glucose level-lowering action, used for the therapy of diabetes and insulin resistance ASTELLAS PHARMA INC. (JP) 2010-08-17 US disclosed
US-20070259854-A1 Triazole Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2007-11-08 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-20070259854-A1 Triazole Derivative or Salt Thereof HSD11B1, HSD11B2, HSD3B1 SMO 2116/4885KMT2A 1495/4885KDM4E 2670/4885

“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.