SCHEMBL666891

SCHEMBL666891

CC(N)c1cccc(N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 1/20 0.35
ALOX5 P09917 2/20 0.35
CFD P00746 1/20 0.34
F11 P03951 1/20 0.34
TPSB2 P20231 1/20 0.34
CTRB1 P17538 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
CXCR1 P25024 1/20 0.33

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
SCHEMBL3930203 0.78 HTR2C (0.42) KDM4ELMNAHIF1AALOX5CFD
SCHEMBL1026693 0.78 ALDH1A1 (0.42) KDM4ELMNACYP3A4CYP2C9PTGS1
SCHEMBL1555330 0.76 ALDH1A1 (0.50) LMNACYP3A4CYP2C9SMN1; SMN2MEN1
SCHEMBL1025144 0.74 SCN2A (0.39) LMNACYP3A4CYP2C9SMN1; SMN2MEN1
SCHEMBL9995385 0.74 CYP3A4 (0.35) LMNACYP3A4CYP2C9SMN1; SMN2MEN1
SCHEMBL17728900 0.74 HTR3E (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7379122 0.74 RXRA (0.45) KDM4ELMNACYP3A4CYP2C9MAPT
SCHEMBL67323 0.74 MTNR1A (0.44) KDM4ELMNASMN1; SMN2MEN1KMT2A
SCHEMBL7034982 0.74 KMT2A (0.47) CYP3A4CYP2C9MAPTSMN1; SMN2MEN1
SCHEMBL666092 0.74 LOXL2 (0.43) LMNACFDCYP3A4CYP2C9SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 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-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC KDM4E 272/4885LMNA 3629/4885HIF1A 463/4885

“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.