SCHEMBL3594810

SCHEMBL3594810

COc1cc(C(=O)NCCC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 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
SCHEMBL3598390 0.94 PDE4A (0.41) MEN1KMT2ASMN1; SMN2LMNACCR5
SCHEMBL3600445 0.94 CCR5 (0.38) MEN1KMT2ASMN1; SMN2LMNACCR5
SCHEMBL3587526 0.91 CCR5 (0.39) MEN1KMT2ACCR5POLB
SCHEMBL3593561 0.91 CCR5 (0.37) MEN1KMT2ASMN1; SMN2LMNACCR5
SCHEMBL3586655 0.90 BCHE (0.38) MEN1KMT2ASMN1; SMN2LMNACCR5
SCHEMBL3587745 0.89 CCR5 (0.37) MEN1KMT2ACCR5POLBACHE
SCHEMBL3588544 0.89 CCR5 (0.37) MEN1KMT2ACCR5POLBACHE
SCHEMBL3588547 0.89 CCR5 (0.37) MEN1KMT2ACCR5POLBACHE
SCHEMBL3587758 0.89 CCR5 (0.37) MEN1KMT2ACCR5POLBACHE
SCHEMBL3592312 0.88 MAPT (0.37) MEN1KMT2ASMN1; SMN2CCR5MAPT

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 4 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

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 MEN1 3628/4885KMT2A 4721/4885SMN1; 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.