SCHEMBL3585791

SCHEMBL3585791

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 2/20 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
SCHEMBL3590081 0.91 FAAH (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL3602275 0.91 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3596441 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3594430 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3601757 0.89 ACKR3 (0.40) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL3592162 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3595274 0.88 HTR7 (0.39) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3595546 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL16326419 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL3599541 0.87 MAPK1 (0.47) MAPTPKMMAPK1RAB9ABCHE

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 1967/4885LMNA 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.