SCHEMBL7083429

SCHEMBL7083429

Brc1cc(Cc2ccccn2)cc(Cc2ccccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 2/20 0.43
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CCR5 P51681 1/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL6478693 0.92 L3MBTL1 (0.46) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL30025675 0.90 L3MBTL1 (0.47) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL23521240 0.90 L3MBTL1 (0.47) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL30380705 0.88 L3MBTL1 (0.46) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL1773197 0.82 L3MBTL1 (0.65) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL31068243 0.82 L3MBTL1 (0.65) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL15081590 0.82 L3MBTL1 (0.58) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL7488885 0.78 L3MBTL1 (0.50) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL64435 0.77 L3MBTL1 (0.68) L3MBTL1HRH3HRH1HRH4LMNA
SCHEMBL29373231 0.77 L3MBTL1 (0.68) L3MBTL1HRH3HRH1HRH4LMNA

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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof PAYNE LINDA S (US) 2003-12-11 US disclosed
EP-1196384-A4 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO INC (US) 2002-10-23 EP disclosed
EP-1196384-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001000578-A1 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF MERCK & CO., INC. (US) 2001-01-04 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-20030229079-A1 1-(Aromatic- or heteroaromatic-substituted)-3-(heteroaromatic substituted)-1,3-propanediones and uses thereof CYP2S1, IMPDH1, IDO1 L3MBTL1 1944/4885HRH3 702/4885HRH1 326/4885

“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.