SCHEMBL7040328

SCHEMBL7040328

COc1ccc(C(=O)Nc2ccc(-c3cccc4cccnc34)cc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.56
SERPINE1 P05121 1/20 0.53
POLB P06746 1/20 0.52
MEN1 O00255 3/20 0.52
PPARG P37231 1/20 0.52
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
ENPP1 P22413 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CA2 P00918 1/20 0.49
MMP9 P14780 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 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
SCHEMBL7034025 0.99 KMT2A (0.59) KMT2AMAPTSERPINE1POLBMEN1
SCHEMBL7036040 0.92 KMT2A (0.60) KMT2AMAPTSERPINE1POLBMEN1
Lithium Ion SCHEMBL7034022 0.90 PPARG (0.64) KMT2AMAPTSERPINE1POLBMEN1
SCHEMBL420125 0.84 SERPINE1 (0.67) KMT2AMAPTSERPINE1MEN1PPARG
SCHEMBL417231 0.83 SERPINE1 (0.66) KMT2AMAPTSERPINE1MEN1PPARG
SCHEMBL7041716 0.81 SERPINE1 (0.54) KMT2AMAPTSERPINE1MEN1PPARG
SCHEMBL7038170 0.80 SERPINE1 (0.53) KMT2AMAPTSERPINE1MEN1PPARG
SCHEMBL30063285 0.80 KMT2A (0.77) KMT2AMAPTPOLBMEN1KDM4E
SCHEMBL19748126 0.80 KMT2A (0.77) KMT2AMAPTPOLBMEN1KDM4E
SCHEMBL422357 0.79 SERPINE1 (0.64) KMT2AMAPTSERPINE1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073862-A1 Compounds BIOVITRUM AB (SE) 2003-04-17 US claimed
WO-2003004458-A1 NEW COMPOUNDS BIOVITRUM AB (SE) 2003-01-16 WO claimed
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 1939/4885MAPT 4479/4885SERPINE1 1107/4885

“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.