Sugi Predict

Sugi Predict / Compounds / SCHEMBL265597

SCHEMBL265597

SCHEMBL265597

O=c1c(O)cn(C2CCCC2)c2cc(NC3CCCCC3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ AR P10275 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ IP6K1 Q92551 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4B Q07343 2/20 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
SCHEMBL9278373 0.82 AR (0.40) KDM4EARMEN1KMT2AIP6K1
SCHEMBL262114 0.80 MEN1 (0.53) KDM4EMEN1KMT2AIDO1ALDH1A1
SCHEMBL265596 0.71 FOXO1 (0.45) KDM4EMEN1KMT2AIDO1
SCHEMBL13332436 0.69 AR (0.46) ARMEN1KMT2AIP6K1ALDH1A1
SCHEMBL263654 0.66 MEN1 (0.59) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL27977216 0.66 KDM4E (0.68) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL1397633 0.66 IDO1 (0.50) KDM4EARMEN1KMT2APDK2
SCHEMBL262376 0.65 GAA (0.53) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL264857 0.65 MEN1 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL262995 0.65 MEN1 (0.59) KDM4EMEN1KMT2AALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 — — US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 — — US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 — — 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 KDM4E 3062/4885AR 1834/4885MEN1 3327/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 KDM4E 3128/4885AR 2638/4885MEN1 2994/4885

“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.