SCHEMBL3602035

SCHEMBL3602035

O=C(O)CCc1ccc(C(=O)N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
PLA2G4A P47712 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL3592162 0.93 ALDH1A1 (0.46) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3596799 0.91 BLM (0.40) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3590529 0.90 ALDH1A1 (0.45) NPSR1SMN1; SMN2KDM4EKMT2AALDH1A1
SCHEMBL13254227 0.89 NPC1 (0.46) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3587956 0.89 HTR2A (0.49) PKMKDM4EKMT2ATAAR1SIGMAR1
SCHEMBL13282394 0.88 SMN1; SMN2 (0.38) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3591781 0.87 L3MBTL1 (0.43) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3591777 0.87 L3MBTL1 (0.43) PKMNPSR1SMN1; SMN2KDM4ENPC1
SCHEMBL3596441 0.87 ALDH1A1 (0.43) NPSR1SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL3589454 0.86 HTR2A (0.38) SIGMAR1PLA2G4A

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 PKM 4269/4885NPSR1 535/4885SMN1; SMN2 4722/4885

“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.