SCHEMBL3595546

SCHEMBL3595546

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SLC2A1 P11166 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
CYP2D6 P10635 1/20 0.39
ENPP2 Q13822 2/20 0.38
THRB P10828 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3602275 0.90 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3596441 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3594430 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL16326419 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3585791 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3592162 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3595274 0.87 HTR7 (0.39) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3600657 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3596012 0.86 SLC2A1 (0.41) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL3597934 0.85 CACNB4 (0.44) ALDH1A1KDM4EMAPTLMNASMN1; SMN2

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 4118/4885KDM4E 1967/4885MAPT 4708/4885

“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.