SCHEMBL4477958

SCHEMBL4477958

COC(=O)c1c2c(c(O)c[n+]1[O-])C(=O)N(Cc1ccc(F)cc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 8/20 0.42
LMNA P02545 7/20 0.42
ALDH1A1 P00352 5/20 0.42
HTT P42858 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
AKR1B1 P15121 1/20 0.41
PKM P14618 2/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
WDR5 P61964 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 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
SCHEMBL4492303 0.90 LMNA (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4487206 0.81 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL1337231 0.80 MEN1 (0.42) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4479139 0.76 AKR1B1 (0.35) MEN1KMT2ASMN1; SMN2AKR1B1CYP1A2
SCHEMBL4484069 0.76 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4493255 0.74 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6031443 0.74 MEN1 (0.37) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4481402 0.73 MEN1 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4484374 0.71 LMNA (0.49) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL4478430 0.71 LMNA (0.43) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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 MEN1 4754/4885KMT2A 1470/4885SMN1; SMN2 4492/4885

“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.