SCHEMBL3590898

SCHEMBL3590898

O=[N+]([O-])c1ccc2c(C(O)(CNc3ccc(Oc4ccccc4)cc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.39
PGR P06401 1/20 0.38
SERPINE1 P05121 1/20 0.37
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
NR1I2 O75469 1/20 0.36
FFAR1 O14842 2/20 0.36
PDGFRB P09619 1/20 0.36
ICMT O60725 1/20 0.36
KCNH2 Q12809 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
YES1 P07947 1/20 0.35
KDR P35968 1/20 0.35
JAK3 P52333 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
SCHEMBL3593106 0.93 TP53 (0.41)
SCHEMBL3603757 0.92 ALDH1A1 (0.38) NR1I2MEN1KMT2AYES1KDR
SCHEMBL4718571 0.90 MTNR1A (0.37) SERPINE1NR1I2MEN1KMT2AYES1
SCHEMBL3599611 0.88 YES1 (0.38) NR1I2MEN1KMT2AYES1KDR
SCHEMBL3593102 0.88 PDE4A (0.38) NR1I2MEN1KMT2A
SCHEMBL3605698 0.88 PLA2G2A (0.39) MEN1CRHBPKMT2ACRHR2
SCHEMBL13254404 0.85 MEN1 (0.44) MEN1KMT2AYES1KDRJAK3
SCHEMBL3596002 0.84 HTR2C (0.44) NR1I2MEN1KMT2A
SCHEMBL3594473 0.84 DRD2 (0.44) SERPINE1FAAHNR1I2KCNH2MEN1
SCHEMBL3603046 0.84 ALDH1A1 (0.38) NR1I2MEN1KMT2A

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 PIN1 4761/4885PGR 325/4885SERPINE1 3929/4885

“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.