SCHEMBL3592912

SCHEMBL3592912

CN(C(=O)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 2/20 0.39
CHRM3 P20309 2/20 0.39
MLNR O43193 1/20 0.37
BCHE P06276 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.37
SIGMAR1 Q99720 4/20 0.36
HTR2A P28223 1/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL3589358 0.93 MEN1 (0.42) ACHEMEN1ALDH1A1KMT2ACHRM2
SCHEMBL3590840 0.89 ACHE (0.40) ACHEBCHEALOX5MAOASIGMAR1
SCHEMBL3596607 0.89 SIGMAR1 (0.41) ACHEMEN1ALDH1A1KMT2ACHRM2
SCHEMBL3604419 0.88 ALDH1A1 (0.41) ACHEALDH1A1BCHEALOX5MAOA
SCHEMBL3601757 0.87 ACKR3 (0.40) ACHEMEN1ALDH1A1KMT2ABCHE
SCHEMBL3603360 0.87 HTR2A (0.48) ACHECHRM2CHRM3BCHEALOX5
SCHEMBL3602621 0.87 ACHE (0.39) ACHEMEN1ALDH1A1KMT2ABCHE
SCHEMBL3592005 0.87 CHRM2 (0.48) ACHEMEN1KMT2ACHRM2CHRM3
SCHEMBL3586986 0.86 KDM4E (0.43) ACHEMEN1ALDH1A1KMT2ACHRM2
SCHEMBL3598453 0.86 ALDH1A1 (0.43) ALDH1A1KMT2A

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 3 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
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 ACHE 3194/4885MEN1 3628/4885ALDH1A1 4118/4885

“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.