SCHEMBL4484112

SCHEMBL4484112

COc1c2c(c(C(=O)N(C)C)n(-c3ccc(C)cc3)c1=O)CCN(Cc1ccc(F)c(Cl)c1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RX7 Q99572 6/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
METAP2 P50579 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL4480516 0.90 LMNA (0.35) LMNASMN1; SMN2HTTTDP1MEN1
SCHEMBL4480439 0.87 P2RX7 (0.35) SMN1; SMN2P2RX7AKR1B1
SCHEMBL4484250 0.83 PDK1 (0.34) AKR1B1
SCHEMBL4484242 0.83 MEN1 (0.35) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4486216 0.82 P2RX7 (0.32) LMNAHTTMEN1KMT2AP2RX7
SCHEMBL4480319 0.82 AKR1B1 (0.35) LMNASMN1; SMN2L3MBTL1EGLN1AKR1B1
SCHEMBL4489427 0.82 AKR1B1 (0.33) MAPTAKR1B1
SCHEMBL4484029 0.82 OPRM1 (0.34) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4486052 0.81 METAP2 (0.35) METAP2AKR1B1
SCHEMBL4484270 0.81 AKR1B1 (0.32) MAPTAKR1B1

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-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
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 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 (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.