SCHEMBL4484374

SCHEMBL4484374

CCOC(=O)c1ncc(O)c2c1CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PKM P14618 1/20 0.41
AKR1B1 P15121 1/20 0.40
P2RY12 Q9H244 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL4499510 0.95 LMNA (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4487206 0.90 MEN1 (0.49) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL6032420 0.89 ALDH1A1 (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4478273 0.89 ALDH1A1 (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL1336916 0.89 MEN1 (0.42) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4477132 0.89 LMNA (0.50) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL10233993 0.87 ALDH1A1 (0.43) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL6031443 0.81 MEN1 (0.37) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4483474 0.80 LMNA (0.45) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL2728496 0.80 EGLN1 (0.44) LMNASMN1; SMN2HTTMEN1KMT2A

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.