SCHEMBL3598764

SCHEMBL3598764

O=[N+]([O-])c1ccc2c(C(O)(CN3CCc4nc(-c5ccccc5)sc4C3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 4/20 0.35
MEN1 O00255 1/20 0.35
PTPN1 P18031 1/20 0.34
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL3598481 0.91 ALDH1A1 (0.38) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL3595467 0.90 ALDH1A1 (0.37) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL13254272 0.86 ALDH1A1 (0.35) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL3600018 0.83 PRMT5 (0.38) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3591436 0.83 ALDH1A1 (0.35) KMT2AALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3598200 0.82 KAT2B (0.38) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3594430 0.81 ALDH1A1 (0.44) RAB9AALDH1A1KDM4ESMN1; SMN2MAPK1
SCHEMBL3592261 0.81 ITGB3 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT
SCHEMBL3597934 0.81 CACNB4 (0.44) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3594405 0.80 ACHE (0.34) ALDH1A1KDM4ESMN1; SMN2MAPT

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 RAB9A 2473/4885NPC1 4800/4885KMT2A 4721/4885

“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.