SCHEMBL3593202

SCHEMBL3593202

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
KAT2B Q92831 1/20 0.41
PLA2G2A P14555 1/20 0.40
SERPINE1 P05121 2/20 0.39
S1PR3 Q99500 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL3590933 0.88 AR (0.40) PTPN1ALDH1A1LMNAMAPTPLA2G2A
SCHEMBL3585689 0.87 PTPN1 (0.37) PTPN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3588767 0.86 KMT2A (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3585759 0.85 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3592510 0.85 CNR1 (0.38) PTPN1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3602216 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3591257 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3597912 0.84 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3591669 0.83 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3598247 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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 PTPN1 752/4885ALDH1A1 4118/4885KMT2A 4721/4885

“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.