SCHEMBL3603503

SCHEMBL3603503

COc1ccccc1NCC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CRHBP P24387 1/20 0.44
HTT P42858 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RX7 Q99572 1/20 0.43
LMNA P02545 2/20 0.40
RORC P51449 1/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39

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
SCHEMBL3605698 0.88 PLA2G2A (0.39) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3599839 0.88 MAPT (0.41) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL3593106 0.88 TP53 (0.41) MAPTALDH1A1TP53P2RX7LMNA
SCHEMBL3603757 0.87 ALDH1A1 (0.38) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3591505 0.85 ALDH1A1 (0.39) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL3590606 0.84 MAPT (0.39) MEN1KMT2AMAPTGAAL3MBTL1
SCHEMBL3594288 0.84 ALDH1A1 (0.41) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3603046 0.84 ALDH1A1 (0.38) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL3588401 0.84 PLA2G2A (0.41) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL13254113 0.84 F2RL3 (0.42) MEN1KMT2AMAPTL3MBTL1SMN1; SMN2

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 MEN1 3628/4885KMT2A 4721/4885MAPT 4708/4885

“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.