SCHEMBL4850992

SCHEMBL4850992

COc1cc(CCl)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)oc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
PPARG P37231 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
PDE4D Q08499 2/20 0.42
PDE4B Q07343 1/20 0.42
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL4850575 0.91 KDR (0.52) L3MBTL1PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL4852739 0.85 L3MBTL1 (0.50) L3MBTL1PPARGSMN1; SMN2MEN1KMT2A
SCHEMBL1731684 0.84 KDR (0.53) PPARGSMN1; SMN2MAPTALDH1A1TSHR
SCHEMBL4846412 0.82 FFAR1 (0.48) PPARGSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4852529 0.82 SMN1; SMN2 (0.47) PPARGSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4850246 0.81 PPARG (0.43) PPARGSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4845475 0.81 SMN1; SMN2 (0.51) PPARGSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4034512 0.80 KDR (0.53) PPARGSMN1; SMN2MAPTKDRLMNA
SCHEMBL4850586 0.80 RAB9A (0.52) PPARGSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1732533 0.80 KDM4E (0.49) PPARGSMN1; SMN2MEN1KMT2AMAPT

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 L3MBTL1 1012/4885PPARG 536/4885SMN1; SMN2 4339/4885

“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.