SCHEMBL3591436

SCHEMBL3591436

O=[N+]([O-])c1ccc2c(C(O)(CN3CCc4sccc4C3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
LMNA P02545 3/20 0.35
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRB3 P13945 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
CYP2B6 P20813 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
DRD4 P21917 1/20 0.35
HRH2 P25021 1/20 0.35
ADRA1A P35348 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
SCHEMBL3600018 0.89 PRMT5 (0.38) ALDH1A1LMNACYP2C19CYP1A2CYP3A4
SCHEMBL3598200 0.85 KAT2B (0.38) ALDH1A1LMNASMN1; SMN2KDM4EKAT2B
SCHEMBL3595274 0.85 HTR7 (0.39) ALDH1A1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL3604171 0.85 ABCB1 (0.43) ALDH1A1LMNASMN1; SMN2MAPK1MAPT
SCHEMBL3594430 0.84 ALDH1A1 (0.44) ALDH1A1LMNACYP2C19CYP1A2CYP2D6
SCHEMBL3594405 0.84 ACHE (0.34) ALDH1A1LMNASMN1; SMN2KDM4EACHE
SCHEMBL3597934 0.84 CACNB4 (0.44) ALDH1A1LMNAOPRK1SMN1; SMN2KDM4E
SCHEMBL3598481 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPK1KAT2B
SCHEMBL3598764 0.83 RAB9A (0.37) ALDH1A1DRD3SMN1; SMN2KDM4EMAPK1
SCHEMBL3602665 0.83 PLA2G4A (0.38) ALDH1A1LMNASMN1; SMN2KDM4EMAPK1

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 ALDH1A1 4118/4885LMNA 4335/4885CYP2C19 820/4885

“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.