SCHEMBL3605698

SCHEMBL3605698

COc1cccc(NCC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGER3 P43115 1/20 0.38

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 0.92 TP53 (0.41) PLA2G2AALDH1A1MAPTCNR1CNR2
SCHEMBL3603757 0.90 ALDH1A1 (0.38) PLA2G2AALDH1A1MEN1KMT2AMAPT
SCHEMBL3591610 0.89 MEN1 (0.42) PLA2G2AALDH1A1MEN1KMT2AMAPT
SCHEMBL3590898 0.88 PIN1 (0.39) MEN1KMT2ACRHBPCRHR2
SCHEMBL3603503 0.88 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4718571 0.85 MTNR1A (0.37) PLA2G2AALDH1A1MEN1KMT2AGAA
SCHEMBL3588401 0.85 PLA2G2A (0.41) PLA2G2AMEN1KMT2AMAPTCRHBP
SCHEMBL3593102 0.84 PDE4A (0.38) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3596002 0.84 HTR2C (0.44) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL3599611 0.83 YES1 (0.38) PLA2G2AALDH1A1MEN1KMT2AMAPT

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 PLA2G2A 3533/4885ALDH1A1 4118/4885MEN1 3628/4885

“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.