SCHEMBL5863484

SCHEMBL5863484

CCC(C(=O)O)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
KMT2A Q03164 3/20 0.39
CASP3 P42574 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL7753061 0.89 ALDH1A1 (0.45) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL31574130 0.85 POLB (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL30615785 0.85 KMT2A (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL30744235 0.85 PPARG (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL29540316 0.85 PPARG (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL15083099 0.85 PPARG (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL16288980 0.85 PPARG (0.43) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL31348970 0.84 KMT2A (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL31348983 0.84 KMT2A (0.46) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL16000762 0.83 FABP5 (0.44) FABP5FABP7KMT2ACASP3EPHX2

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-7030118-B2 Pyrrolotriazinone compounds and their use to treat diseases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-18 US disclosed
EP-1519729-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2005-04-06 EP disclosed
US-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 US disclosed
WO-2003099286-A1 PYRROLOTRIAZINONE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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-20030232832-A1 Nitrogen compounds such as N-(3-Aminopropyl)-N-(1-(3-benzyl-4 -oxo-3,4-dihydropyrrolo(2,1-f)(1,2,4)-triazine-2-yl)-propyl)-4 -methylbenzamide, trifluoroacetic acid salt, used as anticarcinogenic or antiproliferative agents CCNB1, NUMA1, CCNA1 ALDH1A1 1027/4885LMNA 905/4885POLB 64/4885

“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.