SCHEMBL3590131

SCHEMBL3590131

O=C(Nc1ccccc1)C1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.44
CCR3 P51677 1/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
YAP1 P46937 1/20 0.38
TEAD4 Q15561 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3601757 0.92 ACKR3 (0.40) KMT2AMEN1BCHEALOX5MAOA
SCHEMBL14159986 0.91 ALDH1A1 (0.49) KMT2AMEN1BCHEALOX5MAOA
SCHEMBL3600013 0.91 SIGMAR1 (0.44) BCHEALOX5MAOAACHEALDH1A1
SCHEMBL3590840 0.91 ACHE (0.40) BCHEALOX5MAOAACHESIGMAR1
SCHEMBL3604419 0.89 ALDH1A1 (0.41) LMNABCHEALOX5MAOAACHE
SCHEMBL3596607 0.88 SIGMAR1 (0.41) KMT2AMEN1BCHEALOX5MAOA
SCHEMBL3603360 0.88 HTR2A (0.48) BCHEALOX5MAOAACHESIGMAR1
SCHEMBL3599541 0.88 MAPK1 (0.47) BCHEALOX5MAOAACHESIGMAR1
SCHEMBL3590081 0.88 FAAH (0.46) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL3586986 0.87 KDM4E (0.43) KMT2AMEN1LMNABCHEALOX5

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 KMT2A 4721/4885MEN1 3628/4885LMNA 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.