SCHEMBL309108

SCHEMBL309108

COCOc1cc(Br)cc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.40
IDO1 P14902 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MAOB P27338 7/20 0.32
GRM5 P41594 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
TNFRSF1A P19438 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL25198968 0.95 SOD1 (0.36) SOD1CHRNB4CHRNA3MAOBGRM5
SCHEMBL15613777 0.86 MAOB (0.34) SOD1MAOBGRM5
SCHEMBL2276323 0.86 ALDH1A1 (0.37) SOD1GRM5CYP3A4
SCHEMBL31225986 0.86 MAPT (0.39) SOD1GRM5CYP2C19
SCHEMBL13689573 0.86 SOD1 (0.32) SOD1
Ammonia Solution, Strong SCHEMBL27822532 0.84 ALDH1A1 (0.36) SOD1GRM5CYP3A4
SCHEMBL2947790 0.82 ALDH1A1 (0.42) MAOBGRM5CYP2D6CYP2C19TNFRSF1A
SCHEMBL17072077 0.81 CTNNB1 (0.38) SOD1CHRNB4CHRNA3MAOB
SCHEMBL5373918 0.81 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19616829 0.81 PGR (0.34)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118440055-A Organic ligand, lanthanide metal-coordinated organic polyhedron and metal-coordinated hydrogel 华南理工大学 2024-08-06 CN claimed
CN-118440055-A Organic ligand, lanthanide metal-coordinated organic polyhedron and metal-coordinated hydrogel 华南理工大学 2024-08-06 CN disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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 (3 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S SOD1 1795/4885IDO1 1245/4885CHRNB4 749/4885
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 SOD1 2402/4885IDO1 241/4885CHRNB4 4801/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E SOD1 3887/4885IDO1 924/4885CHRNB4 4239/4885

“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.