SCHEMBL4848592

SCHEMBL4848592

COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccccc2)sc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 7/20 0.42
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 1/20 0.36
CSF1R P07333 1/20 0.36
F2 P00734 1/20 0.36
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 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
SCHEMBL4851206 0.89 PPARD (0.44) MEN1KMT2ANLRP3KDM4EPOLB
SCHEMBL4853130 0.89 F2RL3 (0.40) F2RL3MEN1KMT2AKDM4EPOLB
SCHEMBL4853167 0.89 F2RL3 (0.40) F2RL3MEN1KMT2AKDM4EPOLB
SCHEMBL4845749 0.86 ALDH1A1 (0.40) F2RL3MEN1KMT2AKDM4EPOLB
SCHEMBL4850499 0.85 F2RL3 (0.42) F2RL3MEN1KMT2AKDM4EPOLB
SCHEMBL4845536 0.85 PPARG (0.46) MAPTPPARGPPARA
SCHEMBL4852679 0.81 PDE10A (0.42) MEN1KMT2ANLRP3POLBMAPT
SCHEMBL4853790 0.81 PPARG (0.43) MAPTSMN1; SMN2PPARGPPARA
SCHEMBL4846394 0.80 ALDH1A1 (0.40) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL4848025 0.80 PPARG (0.41) MEN1KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 F2RL3 4515/4885MEN1 3268/4885KMT2A 1792/4885

“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.