SCHEMBL6256244

SCHEMBL6256244

O=[N+]([O-])c1ccc(-c2cnc3ccc(Cl)cn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C2B O00750 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
FYN P06241 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
RIPK2 O43353 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
MCL1 Q07820 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 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
SCHEMBL3184851 0.80 KDR (0.48) PRMT5WDR77MAPTLMNAMCL1
SCHEMBL29845162 0.77 FLT3 (0.61) PRMT5WDR77MAPTLMNAMEN1
SCHEMBL15288131 0.73 FYN (0.55) PIK3CBPIK3CGFYNPRMT5WDR77
SCHEMBL6108987 0.72 FYN (0.54) PIK3CBPIK3CGFYNPRMT5WDR77
SCHEMBL24656004 0.71 MAPT (0.45) PIK3CBPIK3CGMAPTLMNAPOLB
SCHEMBL14668455 0.71 FYN (0.47) FYNPRMT5WDR77RIPK2POLB
SCHEMBL15332432 0.71 ALDH1A1 (0.42) MAPTCYP1A2CYP2C9MCL1POLB
SCHEMBL5777650 0.70 RAB9A (0.69) MAPTLMNAMCL1POLBMEN1
SCHEMBL3031805 0.70 PRMT5 (0.47) FYNPRMT5WDR77POLB
SCHEMBL29556295 0.70 DYRK3 (0.57) FYNKCNH2

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 PIK3C2B 2943/4885PIK3CB 2260/4885PIK3CG 2774/4885

“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.