SCHEMBL21480168

SCHEMBL21480168

CC[C@@H](C)CN(CCC(=O)OC)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
NCOR2 Q9Y618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEP1B Q16820 1/20 0.41
RORC P51449 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL11087007 0.85 KDM4E (0.46) KDM4ETDP1ALDH1A1LMNAMEN1
SCHEMBL3258895 0.84 TDP1 (0.54) KDM4ETDP1ALDH1A1LMNAHDAC3
SCHEMBL5175327 0.84 TDP1 (0.54) KDM4ETDP1ALDH1A1LMNAMEN1
SCHEMBL16916475 0.84 TDP1 (0.46) KDM4ETDP1ALDH1A1LMNAMEN1
SCHEMBL12358653 0.82 TDP1 (0.52) KDM4ETDP1ALDH1A1LMNAMEN1
SCHEMBL27000293 0.81 KMT2A (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL24766843 0.79 MEN1 (0.46) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL22100562 0.79 MEN1 (0.46) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL31301729 0.79 HDAC3 (0.52) KDM4ETDP1ALDH1A1LMNAHDAC3
SCHEMBL10392751 0.79 ALOX5 (0.47) KDM4ETDP1ALDH1A1LMNAMEN1

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-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2021-02-02 US disclosed
US-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 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-20190315715-A1 NOVEL PYRIMIDINE CARBOXAMIDES AS INHIBITORS OF VANIN-1 ENZYME VNN1, DPYD, MVD KDM4E 1313/4885TDP1 265/4885ALDH1A1 416/4885
US-10906888-B2 Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme VNN1, DPYD, MVD KDM4E 1635/4885TDP1 310/4885ALDH1A1 405/4885

“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.