SCHEMBL2007064

SCHEMBL2007064

Cc1cc(/C=C/C#N)c(C)c([PH](=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 14/20 0.42
SIRT1 Q96EB6 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
THRB P10828 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL2007068 1.00 MAP2 (0.42) MAP2SIRT1MAPTLMNATHRB
SCHEMBL2007066 0.86 MAP2 (0.42) MAP2SIRT1MAPTLMNATHRB
SCHEMBL14116015 0.83 MAP2 (0.42) MAP2SIRT1MAPTLMNATHRB
SCHEMBL2004540 0.83 MAP2 (0.40) MAP2
SCHEMBL2004536 0.83 MAP2 (0.40) MAP2
SCHEMBL2048036 0.79 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2048041 0.79 ALDH1A1 (0.44) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL12252253 0.73 MAP2 (0.40) MAP2SIRT1MAPTLMNATHRB
SCHEMBL2052855 0.71 ALOX15 (0.33) MAP2MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2052858 0.71 ALOX15 (0.33) MAP2MAPTSMN1; SMN2MEN1KMT2A

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-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 US disclosed
US-7960428-B2 (2-carbamoyl-5-chloro-1H-indol-3-yl)-[3-((E)-2-cyano-vinyl)-5-methyl-phenyl]-(S)-phosphinic acid methyl ester; Flaviviruses; bioavailability; pharmacokinetics IDENIX PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. 2008-09-04 US 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-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C MAP2 616/4885SIRT1 4458/4885MAPT 525/4885
US-20080213217-A1 Enantiomerically pure phosphoindoles as HIV inhibitors DUSP3, PNP, PPP5C MAP2 616/4885SIRT1 4458/4885MAPT 525/4885

“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.