SCHEMBL3607171

SCHEMBL3607171

O=C(C1CCCCC1)N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.42
KMT2A Q03164 2/20 0.41
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL3596012 0.96 SLC2A1 (0.41) SLC2A1MCHR1ALDH1A1KDM4ETSHR
SCHEMBL13254203 0.93 ALDH1A1 (0.40) SLC2A1MCHR1ALDH1A1KDM4ETSHR
SCHEMBL3605470 0.93 CA12 (0.39) SLC2A1KMT2AMCHR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3592308 0.93 ALDH1A1 (0.39) SLC2A1MCHR1ALDH1A1KDM4ETSHR
SCHEMBL3597319 0.90 KCNJ1 (0.40) KMT2AALDH1A1TSHRMEN1HPGD
SCHEMBL3596441 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBLMNAMAPT
SCHEMBL3583319 0.89 SFRP1 (0.43) KMT2AALDH1A1TSHRLMNAMAPT
SCHEMBL3597934 0.88 CACNB4 (0.44) KMT2AALDH1A1KDM4ECNR2MEN1
SCHEMBL3602275 0.87 ALDH1A1 (0.41) SLC2A1KMT2AALDH1A1KDM4EPOLB
SCHEMBL3590840 0.87 ACHE (0.40) MAPTTDP1

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 6 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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN 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 SLC2A1 2063/4885KMT2A 4721/4885MCHR1 2863/4885

“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.