SCHEMBL4478430

SCHEMBL4478430

COc1c2c(c(C(=O)Cl)n(C)c1=O)CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
WDR5 P61964 4/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
P2RX7 Q99572 2/20 0.37
TP53 P04637 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL4495597 0.92 AKR1B1 (0.43) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4493255 0.91 MEN1 (0.46) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4477812 0.88 LMNA (0.46) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL6031518 0.85 LMNA (0.47) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4491069 0.84 LMNA (0.45) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL6032110 0.83 LMNA (0.44) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4480966 0.83 LMNA (0.41) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4473552 0.83 LMNA (0.41) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4479575 0.82 LMNA (0.40) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL4489713 0.81 CCR2 (0.38) LMNASMN1; SMN2L3MBTL1KMT2AMEN1

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-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
WO-2005087767-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.