SCHEMBL3602046

SCHEMBL3602046

O=[N+]([O-])c1ccc2c(C(O)(C/C=C/c3ccc(F)cc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
HSP90AA1 P07900 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
DHFR P00374 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36
SERPINE1 P05121 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PKM P14618 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
SCHEMBL3602047 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3595518 0.87 DHFR (0.37) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3595524 0.87 DHFR (0.37) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3598247 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3587785 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3585759 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3602216 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3585790 0.81 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3597912 0.81 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3588767 0.81 KMT2A (0.40) ALDH1A1KMT2AMAPTMEN1LMNA

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 4 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

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 4721/4885MAPT 4708/4885

“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.