SCHEMBL3134896

SCHEMBL3134896

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)nc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.78
KCNQ2 O43526 8/20 0.78
KCNE1 P15382 6/20 0.78
KCNQ1 P51787 6/20 0.78
RAB9A P51151 5/20 0.69
MAPT P10636 3/20 0.69
NPC1 O15118 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
KDM4E B2RXH2 1/20 0.69
PKM P14618 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
BACE1 P56817 1/20 0.60

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
SCHEMBL5214441 0.88 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL2302662 0.87 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL2300783 0.87 MAPT (0.63) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL401850 0.87 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL5215207 0.85 KCNQ3 (0.81) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL4257363 0.85 NPC1 (0.65) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL403003 0.84 KCNQ3 (0.68) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL1986996 0.83 KCNQ3 (0.82) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL403892 0.83 KMT2A (0.63) KCNQ3KCNQ2KCNE1KCNQ1RAB9A
SCHEMBL4969173 0.83 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1RAB9A

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-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 KCNQ3 1570/4885KCNQ2 1451/4885KCNE1 453/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KCNQ3 4035/4885KCNQ2 3926/4885KCNE1 2330/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KCNQ3 3700/4885KCNQ2 3623/4885KCNE1 2527/4885

“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.