SCHEMBL5443229

SCHEMBL5443229

Cc1cc(C)cc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.36
KEAP1 Q14145 1/20 0.35
EZH2 Q15910 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
LMNA P02545 4/20 0.32
PKM P14618 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL5446724 0.90 SMN1; SMN2 (0.42) SMN1; SMN2LMNAPKMALDH1A1MAPT
SCHEMBL5445142 0.90 EGLN1 (0.39) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL5446694 0.90 MAOB (0.35) TACR1EZH2LMNAALDH1A1MAPT
SCHEMBL5449425 0.89 AKR1B1 (0.33) SMN1; SMN2LMNAALDH1A1PSEN1PSEN2
SCHEMBL5446667 0.87 EGLN1 (0.37) TACR1EZH2SMN1; SMN2LMNAPKM
SCHEMBL5453661 0.87 WDR5 (0.41)
SCHEMBL5452304 0.86 ALDH1A1 (0.34) SMN1; SMN2LMNAPKMALDH1A1HTT
SCHEMBL5450208 0.85 EGLN1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL5446606 0.85 WDR5 (0.36) EZH2LMNAALDH1A1MAPT
SCHEMBL13672777 0.84 AKR1B1 (0.41) SMN1; SMN2LMNAALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO claimed

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 TACR1 3969/4885KEAP1 3897/4885EZH2 2885/4885

“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.