SCHEMBL2881430

SCHEMBL2881430

O=C1Nc2ccc(Cl)cc2C(O)(C(F)F)N1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
AKR1B1 P15121 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP46A1 Q9Y6A2 3/20 0.35
ELOVL6 Q9H5J4 6/20 0.35
CBX7 O95931 1/20 0.35
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
CDY1; CDY1B Q9Y6F8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NR1I2 O75469 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
ADRB1 P08588 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPT P10636 1/20 0.34
CNR1 P21554 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL2467575 0.83 IDO1 (0.43) IDO1AKR1B1MEN1KMT2APDK2
SCHEMBL2472430 0.79 MEN1 (0.43) IDO1AKR1B1MEN1KMT2APDK2
SCHEMBL2474367 0.78 MDM2 (0.41) IDO1MEN1KMT2APDK2ELOVL6
SCHEMBL2470044 0.77 ELOVL6 (0.42) IDO1MEN1KMT2AELOVL6
SCHEMBL2471187 0.76 MDM2 (0.44) IDO1AKR1B1MEN1KMT2A
SCHEMBL2467447 0.75 MAPT (0.36) IDO1AKR1B1MEN1KMT2ACYP46A1
SCHEMBL2472161 0.75 CYP46A1 (0.42) IDO1AKR1B1CYP46A1ELOVL6CBX7
SCHEMBL2469490 0.75 ELOVL6 (0.38) IDO1AKR1B1CYP46A1ELOVL6
SCHEMBL2469599 0.74 CYP46A1 (0.39) IDO1AKR1B1MEN1KMT2ACYP46A1
SCHEMBL2472750 0.74 CYP46A1 (0.43) IDO1AKR1B1MEN1KMT2ACYP46A1

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-7745452-B2 Quinazolinone T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2008-07-10 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-20080167329-A1 Quinazolinone T-Type Calcium Channel Antagonists CACNA1I, CACNA1G, CACNA1H IDO1 1782/4885AKR1B1 2683/4885MEN1 1218/4885

“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.