SCHEMBL4479504

SCHEMBL4479504

COc1cnc(C(=O)O)c2c1C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HTT P42858 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1B1 P15121 1/20 0.43
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
EGLN1 Q9GZT9 5/20 0.40
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38

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
SCHEMBL4478643 0.92 LMNA (0.47) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4492762 0.91 EGLN1 (0.47) SMN1; SMN2LMNAHTTALDH1A1KMT2A
SCHEMBL4477132 0.88 LMNA (0.50) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4487053 0.84 LMNA (0.50) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL6032053 0.83 LMNA (0.49) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4502946 0.81 AKR1B1 (0.43) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4502970 0.80 EGLN1 (0.45) SMN1; SMN2LMNAL3MBTL1HTTALDH1A1
SCHEMBL4487206 0.80 MEN1 (0.49) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL4489537 0.79 LMNA (0.45) SMN1; SMN2LMNAL3MBTL1NCOA3HTT
SCHEMBL2728496 0.79 EGLN1 (0.44) SMN1; SMN2LMNAL3MBTL1HTTALDH1A1

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 SMN1; SMN2 4492/4885LMNA 4273/4885L3MBTL1 1395/4885

“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.