SCHEMBL4962944

SCHEMBL4962944

O=C1c2ncc3c(c(S(=O)(=O)N4CCOCC4)cn3Cc3ccc(F)cc3)c2CCN1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LMNA P02545 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ THRB P10828 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34

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
SCHEMBL4961953 0.92 ALDH1A1 (0.39) MAPTLMNAKMT2AMEN1AXL
SCHEMBL4963436 0.88 MAPT (0.40) MAPTLMNATHRBALDH1A1
SCHEMBL4964710 0.85 MEN1 (0.41) MAPTMAPK1LMNAKMT2AMEN1
SCHEMBL14541616 0.84 RXFP1 (0.36) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL4974351 0.84 RXFP1 (0.36) MAPTLMNAKMT2AMEN1AXL
SCHEMBL4963380 0.83 PDE4A (0.37) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL4964507 0.83 MEN1 (0.41) MAPTMAPK1KMT2AMEN1PIK3CD
SCHEMBL4967431 0.81 KMT2A (0.40) MAPTMAPK1KMT2AMEN1PIK3CD
SCHEMBL4962806 0.81 MAPT (0.35) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL4963385 0.80 MEN1 (0.36) MAPTMAPK1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934220-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-06-25 — — EP disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
US-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC. 2007-05-03 — — US disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — WO disclosed
WO-2007042883-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-19 — — 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-20070099915-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, INTS9, TYMP TDP1 63/4885MAPT 600/4885MAPK1 2340/4885

“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.

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