SCHEMBL3784749

SCHEMBL3784749

O=C(Nc1ccccc1)c1ccccc1B(O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
ALOX12 P18054 1/20 0.61
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA4 P43681 1/20 0.61
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
HTT P42858 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 3/20 0.58
METAP2 P50579 1/20 0.56
BCAT2 O15382 2/20 0.56
POLB P06746 1/20 0.53

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
SCHEMBL3790280 0.86 HPGD (0.56) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL3792796 0.83 PTPN1 (0.54) HPGDALDH1A1MEN1KMT2ATDP1
SCHEMBL20995719 0.82 NPC1 (0.53) HPGDALDH1A1MEN1KMT2AKDM4E
SCHEMBL437231 0.82 ALDH1A1 (0.87) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL3780669 0.82 PTPN1 (0.53) HPGDALDH1A1MEN1KMT2ATDP1
SCHEMBL3788254 0.81 ALDH1A1 (0.61) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL1017795 0.80 CYP3A4 (0.89) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL11266257 0.80 ALDH1A1 (0.83) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL11266259 0.80 ALDH1A1 (0.83) HPGDALDH1A1CYP3A4CYP2C9ALOX12
SCHEMBL791333 0.79 GAA (0.57) KDM4EPOLB

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 5 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-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 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 (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 HPGD 2790/4885ALDH1A1 4339/4885CYP3A4 177/4885

“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.