SCHEMBL4149359

SCHEMBL4149359

CCOC(=O)C=CCNCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPT P10636 8/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
KCNQ3 O43525 3/20 0.43
KCNQ2 O43526 3/20 0.43
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL4149354 1.00 LMNA (0.45) LMNAMAPTTP53POLBKCNQ3
SCHEMBL842766 0.86 MAPT (0.60) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL842765 0.86 MAPT (0.60) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL14577510 0.86 MAPT (0.60) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7340918 0.78 MAPT (0.49) LMNAMAPTPOLBALDH1A1RAB9A
SCHEMBL3176370 0.75 LMNA (0.51) LMNAMAPTTP53POLBKCNQ3
SCHEMBL27667986 0.74 LMNA (0.41) LMNATP53POLBALDH1A1MEN1
SCHEMBL28320431 0.73 MAPT (0.55) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL30154063 0.73 MAPT (0.55) LMNAMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL27743229 0.73 PPARG (0.43) LMNAMAPTPOLBEPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP disclosed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 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 (2 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP LMNA 2868/4885MAPT 3876/4885TP53 1232/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR LMNA 2936/4885MAPT 3753/4885TP53 1169/4885

“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.