SCHEMBL20434460

SCHEMBL20434460

CN1C(=O)c2cc3cc(Br)sc3cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL20434461 0.80 APP (0.38) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL4436652 0.79 S100A4 (0.32) —
SCHEMBL4443306 0.79 S100A4 (0.32) —
SCHEMBL22894477 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17148355 0.72 APP (0.38) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL2150129 0.71 HSP90AA1 (0.30) —
SCHEMBL17010917 0.70 — —
SCHEMBL14944394 0.70 — —
SCHEMBL2367663 0.67 — —
SCHEMBL12552816 0.66 CASP3 (0.56) APPALDH1A1MEN1KMT2AMAPT

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-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2018-08-02 — — US disclosed
US-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME UBE INDUSTRIES, LTD. (JP) 2018-08-02 — — 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-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME IKZF3, HELZ, TEC APP 4590/4885ALDH1A1 246/4885MEN1 3053/4885

“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