SCHEMBL3603408

SCHEMBL3603408

CC(NCC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.39
S1PR3 Q99500 1/20 0.39
ALDH1A1 P00352 3/20 0.37
PLA2G2A P14555 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
LMNA P02545 1/20 0.36
KAT2B Q92831 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
SCHEMBL13254113 0.85 F2RL3 (0.42) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL3603757 0.85 ALDH1A1 (0.38) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL3603384 0.85 L3MBTL1 (0.42) S1PR3ALDH1A1PLA2G2ACRHBPCRHR2
SCHEMBL3594778 0.84 ALDH1A1 (0.41) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL3595097 0.84 KMT2A (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL3596005 0.83 S1PR3 (0.36) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL13254112 0.83 PDE4A (0.38) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL3585759 0.83 ALDH1A1 (0.41) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL13254121 0.83 KMT2A (0.39) S1PR3ALDH1A1PLA2G2AMAPTPDE4A
SCHEMBL3591505 0.83 ALDH1A1 (0.39) S1PR3ALDH1A1PLA2G2AMAPTPDE4A

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 PPARG 776/4885S1PR3 2176/4885ALDH1A1 4118/4885

“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.