SCHEMBL2895560

SCHEMBL2895560

O=C1c2c(O)c(=O)n(-c3ccc(N4CCOCC4)cc3)c(=O)n2CCN1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.41
P2RX7 Q99572 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.39
USP2 O75604 4/20 0.39
CASP1 P29466 4/20 0.39
CASP7 P55210 4/20 0.39
HIF1A Q16665 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRM2 Q14416 1/20 0.39
AKR1C3 P42330 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL2900962 0.91 ALDH1A1 (0.43) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL2897893 0.89 CHRM1 (0.44) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL2892100 0.84 TP53 (0.46) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL2900613 0.78 KCNH2 (0.39) MEN1KMT2ARAB9AALDH1A1CYP2D6
SCHEMBL2900673 0.78 MEN1 (0.39) MEN1KMT2ARAB9AHSD17B10ALDH1A1
SCHEMBL2890924 0.77 KCNH2 (0.45) MEN1KMT2ARAB9AHTTALDH1A1
SCHEMBL2899014 0.77 KCNH2 (0.37) MEN1KMT2AMAPTRAB9ACYP2D6
SCHEMBL2900361 0.76 GAA (0.37) MEN1KMT2AMAPTRAB9AP2RX7
SCHEMBL2900483 0.75 MEN1 (0.37) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL2898803 0.75 KCNH2 (0.38) RAB9AALDH1A1CYP2D6KCNH2GRM2

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 MEN1 4641/4885KMT2A 1314/4885MAPT 2317/4885

“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.