SCHEMBL3983972

SCHEMBL3983972

Cc1nn(Cc2cccc(F)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
CASR P41180 6/20 0.39
PKM P14618 3/20 0.38
PKLR P30613 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADORA1 P30542 1/20 0.35

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
SCHEMBL3992564 0.90 PDE5A (0.38) RXFP1POLBMAPTKDM4EALDH1A1
SCHEMBL3989304 0.89 LMNA (0.41) CASRPKMPKLRPOLBMAPT
SCHEMBL16253836 0.89 RXFP1 (0.40) RXFP1CASRPKMPKLRPOLB
SCHEMBL3983532 0.88 PKM (0.44) PKMPKLRMAPTKDM4EALDH1A1
SCHEMBL3985461 0.88 PDE5A (0.39) POLBMAPTHPGDADORA1
SCHEMBL3994378 0.88 ABHD6 (0.43) POLBMAPTKDM4EALDH1A1NPSR1
SCHEMBL3986060 0.88 PDE5A (0.45) RXFP1PKMMAPTKDM4EALDH1A1
SCHEMBL3985346 0.88 PKM (0.36) PKMPKLRPOLBALDH1A1HTT
SCHEMBL3985002 0.85 NPBWR1 (0.35) PKMPKLRPOLBADORA1
SCHEMBL3985526 0.85 PKM (0.38) PKMPKLRALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP RXFP1 3214/4885CASR 3923/4885PKM 1268/4885

“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.