SCHEMBL3596911

SCHEMBL3596911

COc1cc(C(=O)NC2(C(=O)OCc3ccccc3)CCC2)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TMEM97 Q5BJF2 2/20 0.34
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL3597906 0.94 CCR5 (0.37) CCR5MEN1KMT2APOLBPDE5A
SCHEMBL3587526 0.87 CCR5 (0.39) CCR5MEN1KMT2APOLB
SCHEMBL3598390 0.86 PDE4A (0.41) CCR5MEN1KMT2APOLBLMNA
SCHEMBL3594810 0.86 MEN1 (0.39) CCR5MEN1KMT2APOLBLMNA
SCHEMBL3593561 0.85 CCR5 (0.37) CCR5MEN1KMT2APOLBLMNA
SCHEMBL3592312 0.85 MAPT (0.37) CCR5MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3600445 0.84 CCR5 (0.38) CCR5MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3587745 0.84 CCR5 (0.37) CCR5MEN1KMT2APOLB
SCHEMBL3588544 0.84 CCR5 (0.37) CCR5MEN1KMT2APOLB
SCHEMBL3588547 0.84 CCR5 (0.37) CCR5MEN1KMT2APOLB

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 2 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
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 CCR5 958/4885MEN1 3628/4885KMT2A 4721/4885

“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.