SCHEMBL21472218

SCHEMBL21472218

CNCc1ccc(OC(C)(C)C)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 3/20 0.45
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ADRB2 P07550 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NCF1 P14598 1/20 0.32
NAMPT P43490 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
IL6 P05231 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL20133061 0.86 KDM1A (0.36) CD274KDM1AMAOAMAOBKDM4E
SCHEMBL21214953 0.81 KDM1A (0.33) CD274KDM1AMAOAMAOBMEN1
SCHEMBL30471820 0.80 KDM1A (0.51) CD274KDM1AMAOAMAOBKDM4E
SCHEMBL20329879 0.80 KDM4E (0.40) KDM4EMAPT
SCHEMBL178395 0.80 KDM1A (0.51) CD274KDM1AMAOAMAOBKDM4E
SCHEMBL22005985 0.80 CD274 (0.39) CD274KDM1AMAOAMAOB
SCHEMBL2938892 0.79 PPARG (0.39) CD274KDM4EMAPT
SCHEMBL20133299 0.79 LOXL2 (0.37) MAOBADRB2LOXL2KDM4E
SCHEMBL15945543 0.79 ESR1 (0.39) KDM1AMAOAMAOBKDM4E
SCHEMBL21278459 0.79 CD274 (0.50) CD274KDM1AMAOAMAOBADRB2

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-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 US disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 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 (2 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-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL CD274 3683/4885KDM1A 1754/4885MAOA 1707/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL CD274 3683/4885KDM1A 1754/4885MAOA 1707/4885

“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.