SCHEMBL7036040

SCHEMBL7036040

COC(=O)c1cc(-c2cccc3cccnc23)ccc1NC(=O)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
SERPINE1 P05121 1/20 0.53
POLB P06746 2/20 0.52
MEN1 O00255 3/20 0.52
PPARG P37231 1/20 0.52
KDM4E B2RXH2 4/20 0.51
HPGD P15428 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ENPP1 P22413 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7040328 0.92 KMT2A (0.60) KMT2ASERPINE1POLBMEN1PPARG
SCHEMBL7034025 0.91 KMT2A (0.59) KMT2ASERPINE1POLBMEN1PPARG
Lithium Ion SCHEMBL7034022 0.90 PPARG (0.64) KMT2ASERPINE1POLBMEN1PPARG
SCHEMBL422357 0.87 SERPINE1 (0.64) KMT2ASERPINE1POLBMEN1PPARG
SCHEMBL7034499 0.85 SERPINE1 (0.52) KMT2ASERPINE1MEN1PPARGHPGD
SCHEMBL418419 0.82 SERPINE1 (0.77) KMT2ASERPINE1MEN1PPARGMAPT
SCHEMBL30063285 0.80 KMT2A (0.77) KMT2APOLBMEN1KDM4EHPGD
SCHEMBL19748126 0.80 KMT2A (0.77) KMT2APOLBMEN1KDM4EHPGD
SCHEMBL2951217 0.76 ALDH1A1 (0.58) KDM4EHPGDALDH1A1MAPTLMNA
SCHEMBL420125 0.76 SERPINE1 (0.67) KMT2ASERPINE1MEN1PPARGMAPT

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 KMT2A 1939/4885SERPINE1 1107/4885POLB 1617/4885

“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.