SCHEMBL3603016

SCHEMBL3603016

O=[N+]([O-])c1ccc2c(C(O)(CCN3CCOCC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.46
ALDH1A1 P00352 7/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSB P07858 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PKM P14618 3/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL3603538 0.91 CACNB4 (0.45) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3600408 0.91 KCNJ1 (0.47) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3599180 0.86 ALDH1A1 (0.44) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3597912 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL3594430 0.83 ALDH1A1 (0.44) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3595274 0.83 HTR7 (0.39) ALDH1A1LMNAMAPTSMN1; SMN2CYP2C19
SCHEMBL13254029 0.83 ALDH1A1 (0.37) KCNJ1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3585759 0.83 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL3597934 0.82 CACNB4 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL3597319 0.82 KCNJ1 (0.40) KCNJ1ALDH1A1SMN1; SMN2CYP2C19KMT2A

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 4 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

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 KCNJ1 1632/4885ALDH1A1 4118/4885LMNA 4335/4885

“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.