SCHEMBL3587668

SCHEMBL3587668

O=C1CCCCN1CC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PER2 O15055 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ACHE P22303 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
KAT2B Q92831 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36

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
SCHEMBL3590873 0.97 PER2 (0.37) L3MBTL1PER2SMN1; SMN2ALDH1A1ACHE
SCHEMBL3596250 0.88 KAT2B (0.36) SMN1; SMN2ALDH1A1ACHEKMT2AMAPT
SCHEMBL3597934 0.87 CACNB4 (0.44) SMN1; SMN2ALDH1A1KMT2AMAPTKAT2B
SCHEMBL3598200 0.85 KAT2B (0.38) SMN1; SMN2ALDH1A1ACHEKMT2AMAPT
SCHEMBL3594430 0.84 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3603538 0.82 CACNB4 (0.45) ALDH1A1ACHEKMT2ACACNB4CACNA1A
SCHEMBL13254029 0.82 ALDH1A1 (0.37) L3MBTL1SMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL3595274 0.82 HTR7 (0.39) SMN1; SMN2ALDH1A1ACHEMAPTCACNB4
SCHEMBL3600408 0.82 KCNJ1 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTCACNB4
SCHEMBL3585759 0.82 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1ACHEKMT2AMAPT

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 L3MBTL1 3816/4885PER2 2495/4885SMN1; SMN2 4722/4885

“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.