SCHEMBL4479852

SCHEMBL4479852

O=C(c1nc(O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 6/20 0.41
HTT P42858 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SIGMAR1 Q99720 2/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PREP P48147 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4492841 0.91 SMN1; SMN2 (0.42) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL13672792 0.86 AKR1B1 (0.43) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4479990 0.82 OPRM1 (0.41) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4502978 0.81 AKR1B1 (0.39) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4490458 0.81 AKR1B1 (0.39) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4483672 0.80 AKR1B1 (0.38) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4490374 0.79 AKR1B1 (0.38) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4495602 0.78 AKR1B1 (0.40) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL4480533 0.76 LMNA (0.39) AKR1B1SMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL10233489 0.75 GPR52 (0.40) AKR1B1MAPK1

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-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
WO-2005087767-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 AKR1B1 2248/4885SMN1; SMN2 4492/4885LMNA 4273/4885

“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.