SCHEMBL3594473

SCHEMBL3594473

O=[N+]([O-])c1ccc2c(C(O)(CNCCOc3ccccc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KCNH2 Q12809 1/20 0.37
SERPINE1 P05121 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ACHE P22303 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.35
NR1I2 O75469 1/20 0.35
HTR6 P50406 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
SCHEMBL3591505 0.91 ALDH1A1 (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3594689 0.89 SMN1; SMN2 (0.41) DRD2DRD4DRD3KMT2AMEN1
SCHEMBL3595097 0.89 KMT2A (0.41) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL13254113 0.88 F2RL3 (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13254121 0.88 KMT2A (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL3603384 0.88 L3MBTL1 (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL3598655 0.88 ACHE (0.39) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13254123 0.86 POLB (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL3583209 0.86 ALDH1A1 (0.38) KMT2AMEN1MAPTLMNAHTT
SCHEMBL13254112 0.86 PDE4A (0.38) KMT2AMEN1MAPTLMNASMN1; SMN2

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 DRD2 3426/4885DRD4 1983/4885DRD3 2535/4885

“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.