SCHEMBL20656269

SCHEMBL20656269

CCn1c(=O)[nH]c2cccc(C#N)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PGR P06401 1/20 0.40
DAO P14920 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
RAB9A P51151 1/20 0.37
MAOB P27338 1/20 0.36
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16883650 0.80 ADORA3 (0.45) MEN1KMT2AKDM4EL3MBTL1PGR
SCHEMBL30770900 0.78 ALDH1A1 (0.51) MEN1KMT2AKDM4EHPGDL3MBTL1
SCHEMBL24608420 0.76 CYP1A2 (0.56) CYP1A2MEN1KMT2AKDM4EHPGD
SCHEMBL20079383 0.76 POLB (0.51) L3MBTL1PGRDAOCYP3A4MAOB
SCHEMBL19600866 0.72 CYP1A2 (0.59) CYP1A2MEN1KMT2AKDM4EHPGD
SCHEMBL22148636 0.72 KDM4E (0.41) KDM4EHPGDL3MBTL1SMN1; SMN2TSHR
SCHEMBL29358626 0.68 CYP1A2 (1.00) CYP1A2MEN1KMT2AHPGDPGR
SCHEMBL612643 0.68 CYP1A2 (1.00) CYP1A2MEN1KMT2AHPGDPGR
SCHEMBL22588055 0.68 JAK2 (0.46) PGR
SCHEMBL18358718 0.67 PSMB8 (0.58) KDM4EHPGDL3MBTL1SMN1; SMN2TSHR

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-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 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-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CYP1A2 2978/4885MEN1 4676/4885KMT2A 4285/4885

“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.