SCHEMBL4488900

SCHEMBL4488900

COc1c(O)nc(N(C)S(C)(=O)=O)c2c1C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TP53 P04637 1/20 0.36
AKR1B1 P15121 1/20 0.36
WDR5 P61964 5/20 0.35
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 1/20 0.34
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4480533 0.89 LMNA (0.39) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4484200 0.87 LMNA (0.36) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4494682 0.81 LMNA (0.45) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4478250 0.73 LMNA (0.42) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4490423 0.73 GAA (0.42) LMNASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL4502946 0.72 AKR1B1 (0.43) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4481402 0.72 MEN1 (0.48) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4479575 0.70 LMNA (0.40) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL6031518 0.70 LMNA (0.47) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4484973 0.70 P2RX7 (0.33) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1

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
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO disclosed
WO-2005087767-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H LMNA 4273/4885SMN1; SMN2 4492/4885HTT 930/4885

“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.