SCHEMBL4489537

SCHEMBL4489537

COc1cnc(NS(C)(=O)=O)c2c1C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
HTT P42858 4/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.43
TP53 P04637 2/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPK1 P28482 2/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
PDE4B Q07343 1/20 0.36
PKM P14618 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
AKR1B1 P15121 1/20 0.36

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
SCHEMBL4494682 0.82 LMNA (0.45) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4487053 0.82 LMNA (0.50) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL6032053 0.81 LMNA (0.49) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4479504 0.79 SMN1; SMN2 (0.48) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4478643 0.79 LMNA (0.47) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4477132 0.76 LMNA (0.50) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4478250 0.72 LMNA (0.42) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4482031 0.71 P2RX7 (0.44) LMNASMN1; SMN2HTTALDH1A1L3MBTL1
SCHEMBL4492762 0.70 EGLN1 (0.47) LMNASMN1; SMN2HTTALDH1A1KMT2A
SCHEMBL4487206 0.69 MEN1 (0.49) LMNASMN1; SMN2HTTALDH1A1L3MBTL1

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.