SCHEMBL3603757

SCHEMBL3603757

O=[N+]([O-])c1ccc2c(C(O)(CNc3ccccc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 5/20 0.38
KAT2B Q92831 1/20 0.38
NR1I2 O75469 1/20 0.38
PTPRF P10586 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
S1PR3 Q99500 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL3593102 0.94 PDE4A (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3599611 0.92 YES1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3590898 0.92 PIN1 (0.39) KMT2AMEN1NR1I2YES1KDR
SCHEMBL3593106 0.92 TP53 (0.41) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL3596002 0.92 HTR2C (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3605698 0.90 PLA2G2A (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4718571 0.89 MTNR1A (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3603046 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3603384 0.89 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3595097 0.88 KMT2A (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA

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
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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN 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 ALDH1A1 4118/4885KMT2A 4721/4885MEN1 3628/4885

“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.