SCHEMBL5445142

SCHEMBL5445142

Cc1ccc(CN2CCc3c(c(O)c(=O)n(C)c3C(=O)N(C)C)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
LMNA P02545 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 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
SCHEMBL5452304 0.93 ALDH1A1 (0.34) EGLN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5450208 0.92 EGLN1 (0.37) EGLN1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13672777 0.91 AKR1B1 (0.41) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL5443229 0.90 TACR1 (0.36) LMNASMN1; SMN2HTTALDH1A1MAPT
SCHEMBL5446606 0.89 WDR5 (0.36) EGLN1LMNAMEN1KMT2AALDH1A1
SCHEMBL5446667 0.89 EGLN1 (0.37) EGLN1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL5438443 0.89 GAA (0.42) EGLN1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL5444577 0.88 WDR5 (0.40) LMNAALDH1A1MAPT
SCHEMBL5437380 0.88 CENPE (0.38) SMN1; SMN2ALDH1A1
SCHEMBL5446724 0.88 SMN1; SMN2 (0.42) EGLN1LMNASMN1; 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 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 EGLN1 1645/4885LMNA 4273/4885SMN1; SMN2 4492/4885

“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.