SCHEMBL3592312

SCHEMBL3592312

CCOC(=O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
BCHE P06276 1/20 0.36
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL3587526 0.93 CCR5 (0.39) MEN1ALDH1A1KMT2APOLBCCR5
SCHEMBL3593561 0.92 CCR5 (0.37) MEN1KMT2APOLBCCR5SMN1; SMN2
SCHEMBL3597453 0.91 POLB (0.35) MAPTALDH1A1KMT2APOLBCCR5
SCHEMBL13254136 0.91 SIGMAR1 (0.37) MAPTALDH1A1CCR5SMN1; SMN2TP53
SCHEMBL3585659 0.91 KMT2A (0.41) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL3600445 0.91 CCR5 (0.38) MAPTMEN1ALDH1A1KMT2ACCR5
SCHEMBL14160060 0.90 CACNA1C (0.38) MAPTALDH1A1CCR5TP53PGR
SCHEMBL3583330 0.90 MEN1 (0.37) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL3598302 0.90 BCHE (0.36) MAPTMEN1ALDH1A1KMT2APOLB
SCHEMBL3591478 0.90 CCR5 (0.36) MAPTALDH1A1CCR5TP53PGR

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 MAPT 4708/4885MEN1 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.