SCHEMBL3598192

SCHEMBL3598192

O=C(CC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F)c1cc(F)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.37
SERPINE1 P05121 2/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CDK2 P24941 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL3591669 0.86 KMT2A (0.41) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3595411 0.86 PDE4A (0.39) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3590606 0.85 MAPT (0.39) PDE4APDE4BPDE4CPDE4DRAB9A
SCHEMBL3588767 0.85 KMT2A (0.40) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3585759 0.81 ALDH1A1 (0.41) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3602216 0.81 ALDH1A1 (0.41) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3597912 0.80 ALDH1A1 (0.40) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3598247 0.79 ALDH1A1 (0.44) SERPINE1PDE4APDE4BPDE4CPDE4D
SCHEMBL3602047 0.78 ALDH1A1 (0.40) SERPINE1NPC1LMNAMEN1KMT2A
SCHEMBL3602046 0.78 ALDH1A1 (0.40) SERPINE1NPC1LMNAMEN1KMT2A

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 RORC 69/4885SERPINE1 3929/4885PDE4A 2378/4885

“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.