SCHEMBL3789938

SCHEMBL3789938

O=C(Nc1cccc(B(O)O)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.71
KCNK9 Q9NPC2 7/20 0.71
RAB9A P51151 4/20 0.66
NPC1 O15118 3/20 0.66
HPGD P15428 1/20 0.66
SIRT1 Q96EB6 1/20 0.63
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.58
NLRP3 Q96P20 1/20 0.56
TRPV1 Q8NER1 1/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
LPAR3 Q9UBY5 1/20 0.55

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
SCHEMBL1933481 0.90 HDAC1 (0.63) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL26287842 0.87 NR1H4 (0.69) KCNK3KCNK9RAB9ANPC1MEN1
SCHEMBL3783926 0.86 KCNK3 (0.65) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL2298254 0.84 KCNK3 (1.00) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL3786011 0.83 NPC1 (0.74) KCNK3KCNK9RAB9ANPC1MEN1
SCHEMBL26819992 0.83 DEGS1 (0.57) KCNK3KCNK9RAB9ANPC1MEN1
SCHEMBL4072382 0.83 TP53 (0.61) RAB9ANPC1SIRT1MEN1KMT2A
SCHEMBL2555750 0.83 NPC1 (0.69) KCNK3KCNK9RAB9ANPC1HPGD
SCHEMBL2564353 0.82 TRPV1 (0.52) KCNK3KCNK9NLRP3TRPV1ALDH1A1
SCHEMBL3976625 0.81 MAPT (0.72) KCNK3KCNK9RAB9AMEN1KMT2A

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
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-20090306107-A1 Organic Compounds NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090306107-A1 Organic Compounds NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6919382-B2 Preparation and uses of conjugated solid supports for boronic acids THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2005-07-19 US disclosed
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids GOVERNORS OF THE UNIVERSITY OF ALBERTA, THE (CA) 2003-03-06 US 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KCNK3 2193/4885KCNK9 2467/4885RAB9A 1357/4885
US-20030044840-A1 Preparation and uses of conjugated solid supports for boronic acids SLC43A1, SBDS, SLC7A5 KCNK3 4370/4885KCNK9 4479/4885RAB9A 2477/4885
US-20090306107-A1 Organic Compounds BRAF, MAP3K1, RAF1 KCNK3 1776/4885KCNK9 2622/4885RAB9A 4015/4885

“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.