SCHEMBL3788998

SCHEMBL3788998

CNc1cccc(NC)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR35 Q9HC97 2/20 0.43
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
MAPK1 P28482 2/20 0.40
EGFR P00533 1/20 0.40
PABPC1 P11940 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5914549 0.87 MEN1 (0.50) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL29661766 0.87 MEN1 (0.50) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL22946826 0.85 ALDH1A1 (0.38) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL5914555 0.83 LRRK2 (0.39) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL22619036 0.83 MAPT (0.37) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL883515 0.83 KCNH2 (0.39) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL15934248 0.83 TSHR (0.50) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL3786406 0.83 ALDH1A1 (0.41) MAPTKDM4ETDP1L3MBTL1POLB
Hydrochloric Acid SCHEMBL27789235 0.81 KCNH2 (0.38) MAPTKDM4ETDP1L3MBTL1POLB
SCHEMBL21893783 0.79 APP (0.43) MAPTKDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305171-B Preparation and application of mixed nickel (II) complex containing bisoxazoline-derived nitrogen heterocyclic carbene ligand and phosphite ligand 苏州大学 2021-09-28 CN disclosed
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

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 MAPT 3312/4885KDM4E 2606/4885TDP1 4196/4885

“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.