SCHEMBL7038581

SCHEMBL7038581

O=C(Nc1ccc(OCc2cccs2)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.57
PPARA Q07869 1/20 0.57
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
RORC P51449 10/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL7038655 0.99 PPARG (0.58) PPARGPPARAKMT2AALDH1A1SMN1; SMN2
Lithium Ion SCHEMBL7038578 0.91 PPARG (0.70) PPARGPPARAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7037603 0.90 PPARG (0.56) PPARGPPARAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7036649 0.81 PPARG (0.80) PPARGPPARAKMT2ASMN1; SMN2TP53
SCHEMBL7040522 0.80 PPARG (0.82) PPARGPPARAKMT2ASMN1; SMN2TP53
SCHEMBL7036849 0.76 PPARG (0.55) PPARGPPARAKMT2AALDH1A1MAPT
SCHEMBL14075219 0.75 RORC (0.62) PPARGPPARAKMT2AALDH1A1SMN1; SMN2
SCHEMBL7038565 0.74 PPARG (0.56) PPARGPPARAKMT2AALDH1A1MAPT
SCHEMBL7034823 0.73 PPARG (0.81) PPARGPPARAKMT2ASMN1; SMN2MAPT
Lithium Ion SCHEMBL7036645 0.73 PPARG (1.00) PPARGPPARAKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US disclosed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO 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-20030073862-A1 Compounds PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885KMT2A 1939/4885

“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.