SCHEMBL3983699

SCHEMBL3983699

CN1CCn2cc(C(=O)N(Cc3ccc(F)cc3)NC(=O)O)c(OCc3ccccc3)c2C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 2/20 0.35
GRM5 P41594 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL3983481 0.91 AKT1 (0.41) POLBRECQLKMT2ASMN1; SMN2MMP13
SCHEMBL3986674 0.82 KMT2A (0.37) POLBRECQLKMT2ASMN1; SMN2MMP13
SCHEMBL5124464 0.78 GRM5 (0.41) POLBRECQLSMN1; SMN2LMNAGRM5
SCHEMBL3994775 0.77 GLRA1 (0.41) POLBRECQLKMT2ASMN1; SMN2LMNA
SCHEMBL3982506 0.76 KDM4E (0.41) KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3984614 0.74 AKT1 (0.42) POLBRECQLKMT2ASMN1; SMN2
SCHEMBL4749064 0.72 MAPK1 (0.41) KMT2ASMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL3983952 0.72 LMNA (0.48) KMT2ASMN1; SMN2LMNAL3MBTL1NCOA3
SCHEMBL4196654 0.72 KMT2A (0.48) POLBRECQLKMT2ASMN1; SMN2LMNA
SCHEMBL5531193 0.71 LMNA (0.49) POLBKMT2ASMN1; SMN2LMNAL3MBTL1

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 POLB 80/4885RECQL 27/4885KMT2A 1226/4885

“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.