SCHEMBL3592856

SCHEMBL3592856

O=[N+]([O-])c1cccc2c(C(O)(CO)C(F)(F)F)cn(Cc3ccccc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ATM Q13315 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.35
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 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
SCHEMBL3593112 0.87 SERPINE1 (0.36) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3597190 0.79 CES2 (0.38) SERPINE1KMT2AMAPTNPSR1POLB
SCHEMBL3585759 0.78 ALDH1A1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5213665 0.73 POLB (0.48) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3597912 0.70 ALDH1A1 (0.40) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3602216 0.69 ALDH1A1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3588767 0.68 KMT2A (0.40) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3598247 0.67 ALDH1A1 (0.44) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3587785 0.67 ALDH1A1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL3594288 0.67 ALDH1A1 (0.41) SERPINE1MEN1KMT2ASMN1; SMN2ALDH1A1

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 SERPINE1 3929/4885MEN1 3628/4885KMT2A 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.