SCHEMBL13170959

SCHEMBL13170959

N#Cc1ccc(-c2cc3ccccc3c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
CYP11B1 P15538 2/20 0.46
PDPK1 O15530 1/20 0.44
TNKS O95271 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MPI P34949 1/20 0.42
TSHR P16473 2/20 0.41
CYP11B2 P19099 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 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
SCHEMBL13170956 0.98 CA1 (0.50) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13170953 0.98 CA1 (0.50) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13170785 0.93 CA1 (0.46) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13170958 0.91 CA1 (0.47) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13171014 0.91 CA1 (0.47) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13251112 0.91 CA1 (0.44) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13192364 0.91 PDPK1 (0.44) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13272312 0.91 CA1 (0.44) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13170979 0.89 PDPK1 (0.45) CA1CA2XDHSLC22A12CYP11B1
SCHEMBL13171003 0.88 CA1 (0.51) CA1CA2XDHSLC22A12PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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 (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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 CA1 3983/4885CA2 2855/4885XDH 2434/4885

“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.