SCHEMBL3602980

SCHEMBL3602980

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
CCR5 P51681 1/20 0.36
POLB P06746 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3597453 0.94 POLB (0.35) ACHECCR5POLBCHRM2CHRM3
SCHEMBL3587526 0.91 CCR5 (0.39) CCR5POLBKDM4EALDH1A1KMT2A
SCHEMBL3598390 0.89 PDE4A (0.41) CCR5POLBKMT2A
SCHEMBL3592312 0.88 MAPT (0.37) CCR5POLBCHRM2ALDH1A1KMT2A
SCHEMBL3596388 0.88 SIGMAR1 (0.39) CCR5KDM4EALDH1A1KMT2A
SCHEMBL3594810 0.88 MEN1 (0.39) ACHECCR5POLBKMT2A
SCHEMBL3587915 0.88 MAPK1 (0.41) CCR5CHRM2ALDH1A1KMT2A
SCHEMBL14160060 0.87 CACNA1C (0.38) ACHECCR5CHRM2ALDH1A1
SCHEMBL3586655 0.87 BCHE (0.38) ACHECCR5KDM4EALDH1A1KMT2A
SCHEMBL3585336 0.87 ALDH1A1 (0.41) ACHECCR5KDM4EALDH1A1KMT2A

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 ACHE 3194/4885CCR5 958/4885POLB 4635/4885

“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.