SCHEMBL4481403

SCHEMBL4481403

O=C(NC1CC1)c1[nH]c(=O)c(O)c2c1CCN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.41
CNR1 P21554 7/20 0.41
CNR2 P34972 7/20 0.41
SIGMAR1 Q99720 3/20 0.41
MCHR1 Q99705 2/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
ALOX5 P09917 1/20 0.40
EPHX2 P34913 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
BRD4 O60885 1/20 0.40
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.39
CCR3 P51677 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
SCHEMBL4475043 0.96 CNR2 (0.43) PRKAA2CNR1CNR2SIGMAR1MCHR1
SCHEMBL4494967 0.87 POLB (0.46) BRD4AKR1B1ALDH1A1LMNAHTT
SCHEMBL4488507 0.84 AKR1B1 (0.47) ALOX5AKR1B1ALDH1A1LMNAHTT
SCHEMBL4492134 0.84 TP53 (0.46) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4484069 0.83 MEN1 (0.48) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4482008 0.81 AKR1B1 (0.42) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4480856 0.81 CNR1 (0.44) PRKAA2CNR1CNR2SIGMAR1MCHR1
SCHEMBL4502923 0.79 AKR1B1 (0.41) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4484750 0.78 AKR1B1 (0.40) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL6031141 0.78 LMNA (0.47) AKR1B1ALDH1A1LMNAHTTSMN1; SMN2

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 7 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 claimed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US claimed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP claimed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 WO 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 PRKAA2 3446/4885CNR1 4689/4885CNR2 4841/4885

“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.