SCHEMBL3792292

SCHEMBL3792292

Nc1cc(Cl)ccc1NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
ALOX15 P16050 3/20 0.51
KMT5B Q4FZB7 2/20 0.50
KMT5C Q86Y97 2/20 0.50
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL29860401 0.91 KDM4E (0.46) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL2731890 0.91 KDM4E (0.46) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL8884638 0.86 MAPT (0.59) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL3786110 0.86 MAPT (0.59) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL3786467 0.84 KMT5B (0.54) KDM4EMAPTGAAKMT5BKMT5C
SCHEMBL7185539 0.83 HSP90AA1 (0.43) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL22725031 0.83 IKBKB (0.42) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL7185544 0.83 HSP90AA1 (0.43) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL17675692 0.83 MAPK1 (0.45) KDM4EMAPTGAAALOX15KMT5B
SCHEMBL16128161 0.82 OPRM1 (0.45) KDM4EMAPTGAAALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0799224-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KDM4E 2606/4885MAPT 3312/4885GAA 1755/4885

“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.