SCHEMBL2895518

SCHEMBL2895518

O=C(O)NC(CNCc1ccc(F)cc1)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 1/20 0.43
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GPR34 Q9UPC5 1/20 0.40

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
SCHEMBL2898050 0.86 ATM (0.65) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL23200554 0.81 CNR1 (0.45)
SCHEMBL23200551 0.81 CNR1 (0.45)
SCHEMBL16758733 0.80 FOLH1 (0.51) SMN1; SMN2
SCHEMBL15716271 0.76 FOLH1 (0.48) SMN1; SMN2
SCHEMBL5470004 0.76 FOLH1 (0.48) SMN1; SMN2
SCHEMBL2228752 0.76 FOLH1 (0.48) SMN1; SMN2
SCHEMBL28000849 0.76 CTRB1 (0.52)
SCHEMBL28000850 0.76 CTRB1 (0.52)
SCHEMBL2891347 0.74 HSP90AA1 (0.39) MEN1KMT2AL3MBTL1GPR34

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-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP ALDH1A1 1556/4885KDM4E 483/4885MEN1 4641/4885

“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.