SCHEMBL16919472

SCHEMBL16919472

O=[N+]([O-])c1ccc2c(sc3ccccc32)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.43
▸ CTSB P07858 3/20 0.41
▸ GPR3 P46089 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HPRT1 P00492 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE7A Q13946 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL17985436 0.81 TDP1 (0.53) CYP19A1CTSBGPR3TDP1HPGD
SCHEMBL16919342 0.79 CTSB (0.40) CYP19A1CTSBGPR3TDP1HPGD
SCHEMBL16919494 0.79 PARP14 (0.43) CYP19A1CTSBGPR3TDP1ALDH1A1
SCHEMBL8815910 0.78 PARP14 (0.42) CYP19A1CTSBTDP1ALDH1A1LMNA
SCHEMBL4554345 0.76 PARP14 (0.49) GPR3TDP1ALDH1A1MAPTLMNA
SCHEMBL18646766 0.75 S100A4 (0.38) CYP19A1CTSBTDP1ALDH1A1CASP6
SCHEMBL10043646 0.75 PARP14 (0.42) CTSBTDP1ALDH1A1CASP6LMNA
SCHEMBL15139099 0.74 ALDH1A1 (0.44) GPR3TDP1ALDH1A1MAPTCASP6
SCHEMBL16218716 0.73 ALDH1A1 (0.46) CYP19A1TDP1HPGDALDH1A1MAPT
SCHEMBL1514331 0.73 HPGD (0.43) CTSBGPR3TDP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-12-29 — — US disclosed
WO-2015108325-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-07-23 — — 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-20160380206-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 CYP19A1 182/4885CTSB 3664/4885GPR3 4863/4885

“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.

Send feedback