SCHEMBL3594778

SCHEMBL3594778

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.39
CYP19A1 P11511 2/20 0.39
NR1I2 O75469 1/20 0.38
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
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.36
KAT2B Q92831 1/20 0.36
PLA2G2A P14555 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CASP1 P29466 1/20 0.35
CASP3 P42574 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
SCHEMBL3589630 0.91 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL3599198 0.88 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL13254113 0.86 F2RL3 (0.42) ALDH1A1KMT2AMEN1LMNANR1I2
SCHEMBL3603384 0.86 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1LMNANR1I2
SCHEMBL3603757 0.86 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL3595097 0.85 KMT2A (0.41) ALDH1A1KMT2AMEN1LMNAPKM
SCHEMBL13254112 0.85 PDE4A (0.38) ALDH1A1KMT2AMEN1LMNANR1I2
SCHEMBL3596005 0.85 S1PR3 (0.36) ALDH1A1KMT2AMEN1LMNANR1I2
SCHEMBL3585759 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1LMNAS1PR3
SCHEMBL13254121 0.85 KMT2A (0.39) ALDH1A1KMT2AMEN1LMNANR1I2

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 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.