SCHEMBL17548769

SCHEMBL17548769

O=[N+]([O-])c1ccccc1-c1ccc2sc3c(Br)cccc3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX5 P09917 1/20 0.40
ADORA1 P30542 1/20 0.39
CTSB P07858 1/20 0.38
LMNA P02545 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36

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
SCHEMBL17548827 0.89 ALDH1A1 (0.42) ALDH1A1TDP1ALOX5ADORA1CTSB
SCHEMBL16999820 0.84 ALDH1A1 (0.56) ALDH1A1TDP1ADORA1LMNAMGAM
SCHEMBL31837 0.83 ALDH1A1 (0.51) ALDH1A1TDP1ALOX5ADORA1LMNA
SCHEMBL17548825 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ALOX5ADORA1CTSB
SCHEMBL19320108 0.80 ALDH1A1 (0.42) ALDH1A1TDP1ADORA1CTSBLMNA
SCHEMBL18666359 0.79 ALDH1A1 (0.44) ALDH1A1TDP1ALOX5ADORA1LMNA
SCHEMBL25465865 0.78 ALOX5 (0.41) ALDH1A1ALOX5PTPN1NPC1RAB9A
SCHEMBL18688060 0.78 ALDH1A1 (0.43) ALDH1A1TDP1ALOX5ADORA1LMNA
SCHEMBL18553278 0.77 ALDH1A1 (0.44) ALDH1A1TDP1ALOX5ADORA1LMNA
SCHEMBL25270552 0.76 LIMK1 (0.47) ALDH1A1ALOX5PTPN1MAPK1

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
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
US-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME DUK SAN NEOLUX CO., LTD (KR) 2017-09-07 US disclosed
WO-2016032150-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-03-03 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-20170256719-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRICAL ELEMENT USING COMPOUND, AND ELECTRONIC DEVICE COMPRISING SAME ORAI2, VDAC2, PIEZO1 ALDH1A1 1187/4885TDP1 2081/4885ALOX5 380/4885

“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.