SCHEMBL3982597

SCHEMBL3982597

CCOC(=O)c1c(OCc2ccccc2)c2n(c1Br)CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
KCNH2 Q12809 2/20 0.42
GRM2 Q14416 2/20 0.42
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP3 P42574 1/20 0.39
GAA P10253 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
SCHEMBL3985585 0.89 LMNA (0.44) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL3983664 0.87 LMNA (0.42) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL4744605 0.87 LMNA (0.45) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL3987589 0.83 SMN1; SMN2 (0.41) LMNASMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL5138918 0.82 LMNA (0.41) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL5114056 0.81 LMNA (0.40) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL3983952 0.80 LMNA (0.48) LMNASMN1; SMN2L3MBTL1NCOA3HTT
SCHEMBL5532677 0.78 SMN1; SMN2 (0.51) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL4141251 0.77 SMN1; SMN2 (0.49) LMNASMN1; SMN2L3MBTL1NCOA3KCNH2
SCHEMBL3984185 0.74 LMNA (0.40) LMNASMN1; SMN2L3MBTL1NCOA3MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP LMNA 3682/4885SMN1; SMN2 4264/4885L3MBTL1 1131/4885

“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.