SCHEMBL17148355

SCHEMBL17148355

CN1C(=O)c2cc(Br)sc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.38
▸ CASP3 P42574 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MT-CO1 P00395 1/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL13859021 0.74 ALDH1A1 (0.37) ALDH1A1MEN1KMT2APTGS1PTGS2
SCHEMBL20434465 0.72 PTGS1 (0.44) ALDH1A1PTGS1PTGS2
SCHEMBL20434473 0.72 PTGS1 (0.44) ALDH1A1PTGS1PTGS2
SCHEMBL20434460 0.72 APP (0.38) APPCASP3ALDH1A1HSD17B10MEN1
SCHEMBL11980220 0.69 PTGS1 (0.39) HSD17B10PTGS1PTGS2HPGDKDM4E
SCHEMBL14692605 0.69 PTGS1 (0.39) HSD17B10PTGS1PTGS2HPGDKDM4E
SCHEMBL2562180 0.69 PTGS1 (0.39) HSD17B10PTGS1PTGS2HPGDKDM4E
SCHEMBL16932494 0.67 PTGS1 (0.34) HSD17B10PTGS1PTGS2HPGDKDM4E
SCHEMBL20223234 0.67 MEN1 (0.46) APPCASP3ALDH1A1HSD17B10MEN1
SCHEMBL15731565 0.67 CASP3 (0.41) APPCASP3MAPT

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-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-9450191-B2 Thieno[2,3-C]Pyrrole-dione derivatives and their use for organic semiconductors E.T.C. S.R.L. (IT) 2016-09-20 — — US disclosed
US-20150287932-A1 THIENO[2,3-C]PYRROLE-DIONE DERIVATIVES AND THEIR USE FOR ORGANIC SEMICONDUCTORS USINVEST LLC 2015-10-08 — — 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 (2 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-20150287932-A1 THIENO[2,3-C]PYRROLE-DIONE DERIVATIVES AND THEIR USE FOR ORGANIC SEMICONDUCTORS DDT, TST, TYMS APP 3835/4885CASP3 3583/4885ALDH1A1 1595/4885
US-20180219160-A1 BENZOBIS(THIADIAZOLE) DERIVATIVE, INK COMPRISING THE SAME, AND ORGANIC ELECTRONIC DEVICE USING THE SAME IKZF3, HELZ, TEC APP 4590/4885CASP3 3136/4885ALDH1A1 246/4885

“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