SCHEMBL2897893

SCHEMBL2897893

O=C1c2c(O)c(=O)n(-c3ccc(N4CCOCC4)nc3)c(=O)n2CCN1Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 7/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CASP1 P29466 6/20 0.41
USP2 O75604 6/20 0.41
CASP7 P55210 5/20 0.41
CYP1A2 P05177 5/20 0.41
HIF1A Q16665 4/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL2895560 0.89 MEN1 (0.47) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL2900673 0.81 MEN1 (0.39) CHRM1ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2900962 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL2892100 0.76 TP53 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL2900613 0.73 KCNH2 (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2890924 0.71 KCNH2 (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2899014 0.71 KCNH2 (0.37) MEN1KMT2AMAPTSMN1; SMN2CYP2D6
SCHEMBL3985478 0.71 KCNH2 (0.39) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL4140673 0.71 GAA (0.44) ALDH1A1HSD17B10MEN1KMT2ALMNA
SCHEMBL2900361 0.70 GAA (0.37) ALDH1A1HSD17B10MEN1KMT2AMAPT

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 6 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 claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 US claimed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 US disclosed
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
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 CHRM1 1740/4885ALDH1A1 1556/4885HSD17B10 3040/4885

“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.