SCHEMBL4489785

SCHEMBL4489785

CN(C)C(=O)C(=O)N1CCN(C(=O)c2[nH]c(=O)c(O)c3c2CCN(Cc2ccc(F)cc2)C3=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
PARP1 P09874 2/20 0.38
AKR1B1 P15121 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.35
POLB P06746 1/20 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
SCHEMBL4503051 0.86 MEN1 (0.40) LMNASMN1; SMN2HTTPARP1AKR1B1
SCHEMBL4502923 0.85 AKR1B1 (0.41) LMNASMN1; SMN2HTTPARP1AKR1B1
SCHEMBL4482008 0.85 AKR1B1 (0.42) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4484750 0.84 AKR1B1 (0.40) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4488507 0.81 AKR1B1 (0.47) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4494967 0.79 POLB (0.46) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4484069 0.79 MEN1 (0.48) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4492134 0.77 TP53 (0.46) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL6031141 0.76 LMNA (0.47) LMNASMN1; SMN2HTTAKR1B1L3MBTL1
SCHEMBL4481403 0.75 PRKAA2 (0.41) LMNASMN1; SMN2HTTAKR1B1L3MBTL1

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
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
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 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 (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 LMNA 4273/4885SMN1; SMN2 4492/4885HTT 930/4885

“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.