SCHEMBL10186640

SCHEMBL10186640

CCCCc1cc(CNC2CC2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.42
PARP1 P09874 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 1/20 0.39
TLR8 Q9NR97 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2A P08913 1/20 0.38
MCHR1 Q99705 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL664247 0.86 REN (0.42) MEN1KMT2AALDH1A1ALOX15ADRA2A
SCHEMBL9179529 0.80 MEN1 (0.53) MEN1KMT2AKDM4EPARP1CYP1A2
SCHEMBL8230602 0.79 HTR3E (0.48) MEN1KMT2AKDM4ECYP1A2TSHR
SCHEMBL8673292 0.79 KDM4E (0.55) MEN1KMT2AKDM4EPARP1CYP1A2
SCHEMBL89562 0.76 HTR3E (0.51) MEN1KMT2AKDM4ECYP1A2TSHR
SCHEMBL10186690 0.74 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL8671753 0.73 CYP1A2 (0.53) MEN1KMT2AKDM4EPARP1CYP1A2
SCHEMBL7852029 0.72 MEN1 (0.51) MEN1KMT2AKDM4EPARP1CYP1A2
SCHEMBL8673322 0.72 KDM4E (0.54) MEN1KMT2AKDM4EPARP1CYP1A2
SCHEMBL8671748 0.72 MEN1 (0.51) MEN1KMT2AKDM4EPARP1CYP1A2

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 MEN1 3395/4885KMT2A 4587/4885KDM4E 3884/4885

“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.