SCHEMBL4113264

SCHEMBL4113264

Cc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.69
NPC1 O15118 3/20 0.64
MEN1 O00255 2/20 0.64
HTT P42858 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 1/20 0.64
EPHX1 P07099 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
SLC6A2 P23975 1/20 0.64
PDE4A P27815 1/20 0.64
EPHX2 P34913 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRM1 P35372 1/20 0.64
PDE3A Q14432 1/20 0.64
NLRP3 Q96P20 1/20 0.64
CNR1 P21554 4/20 0.62
KCNJ6 P48051 1/20 0.62
KCNJ5 P48544 1/20 0.62
KCNJ3 P48549 1/20 0.62

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
SCHEMBL11195209 0.88 MEN1 (0.72) IDH1NPC1MEN1HTTKMT2A
SCHEMBL4118302 0.88 NPC1 (0.77) IDH1NPC1MEN1HTTKMT2A
SCHEMBL6442537 0.86 MAPT (0.60) IDH1NPC1MEN1HTTKMT2A
SCHEMBL4548132 0.85 IDH1 (0.64) IDH1NPC1MEN1HTTKMT2A
SCHEMBL6228295 0.85 KMT2A (0.74) IDH1NPC1MEN1HTTKMT2A
SCHEMBL11594185 0.85 MEN1 (0.58) IDH1NPC1MEN1HTTKMT2A
SCHEMBL14758505 0.83 MEN1 (0.75) IDH1NPC1MEN1HTTKMT2A
SCHEMBL725553 0.83 IDH1 (0.69) IDH1NPC1MEN1HTTKMT2A
SCHEMBL15702378 0.83 IDH1 (1.00) IDH1
SCHEMBL11048619 0.82 MEN1 (0.76) NPC1MEN1HTTKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
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 (2 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 IDH1 2415/4885NPC1 6/4885MEN1 4471/4885
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 IDH1 666/4885NPC1 927/4885MEN1 3273/4885

“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.