SCHEMBL2399043

SCHEMBL2399043

NSCCOB(c1ccccc1)C(OC(B(OCCSN)c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
TRPM2 O94759 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
SLC6A4 P31645 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL2407513 0.83 CYP1A2 (0.53) CYP1A2CYP3A4TSHRKDM4EMEN1
SCHEMBL2399715 0.76 HTR2A (0.49) CYP1A2CYP3A4TSHRKDM4EMAPK1
SCHEMBL2398439 0.76 HTR2A (0.42) CYP1A2CYP3A4TSHRKDM4EMEN1
SCHEMBL2398937 0.75 KDM4E (0.38) CYP1A2CYP3A4TSHRKDM4EMEN1
SCHEMBL2398620 0.75 SCN4A (0.46)
SCHEMBL2400611 0.75 MAPT (0.38) CYP1A2CYP3A4TSHRKDM4EMEN1
SCHEMBL2398325 0.74 ALDH1A1 (0.44) CYP1A2CYP3A4TSHRKDM4EMEN1
SCHEMBL2399759 0.72 DRD4 (0.45) KDM4EMEN1KMT2ATDP1
SCHEMBL2398256 0.71 CYP3A4 (0.47) CYP1A2CYP3A4TSHRCYP2D6SLC6A4
SCHEMBL2397486 0.71 EPHX1 (0.44) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP claimed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US claimed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US claimed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 EP claimed
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 EP disclosed
US-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 US disclosed
EP-1961756-A1 NOVEL BISBORON COMPOUND Japan Science and Technology Agency (JP) 2008-08-27 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 CYP1A2 3433/4885CYP3A4 3359/4885TSHR 977/4885

“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.