SCHEMBL6985963

SCHEMBL6985963

O=Cc1ccccc1-c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAOB P27338 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM5 P41594 1/20 0.41
XDH P47989 1/20 0.41
ERN1 O75460 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
MAOA P21397 1/20 0.38
GABRA1 P14867 2/20 0.37
GABRG2 P18507 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
SCHEMBL782416 0.96 ALDH1A1 (0.44) ALDH1A1MAOBMEN1LMNATHRB
SCHEMBL5711323 0.82 LMNA (0.57) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL19154057 0.81 MEN1 (0.46) ALDH1A1MEN1LMNATHRBBLM
SCHEMBL5805651 0.80 RAB9A (0.50) ALDH1A1MAOBMEN1KMT2ATDP1
SCHEMBL29398181 0.80 RAB9A (0.50) ALDH1A1MAOBMEN1KMT2ATDP1
SCHEMBL14650356 0.79 TRIM24 (0.46) ALDH1A1MAOBMEN1LMNATHRB
SCHEMBL29700474 0.79 TRIM24 (0.46) ALDH1A1MAOBMEN1LMNATHRB
SCHEMBL1129691 0.79 XDH (0.51) ALDH1A1MAOBMEN1LMNATHRB
SCHEMBL29354816 0.78 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AERN1
SCHEMBL4919575 0.78 ALDH1A1 (0.43) ALDH1A1MEN1LMNAKMT2AERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108264490-B 1,3, 5-triazine derivative and preparation method and application thereof 湖北尚赛光电材料有限公司 2021-06-01 CN disclosed
CN-108264490-A 1,3,5- pyrrolotriazine derivatives and its preparation method and application 湖北尚赛光电材料有限公司 2018-07-10 CN disclosed
US-6627656-B2 Antagonists of the pain and inflammatory effects of E-type prostaglandins administered alone or in combination with analgesics, antipyretics, NSAIDs, antitussives, decongestants etc MERCK FROSST CANADA LTD. (CA) 2003-09-30 US disclosed
EP-1278734-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE Merck Frosst Canada & Co. (CA) 2003-01-29 EP disclosed
US-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore MERCK FROSST CANADA LTD. (CA) 2002-06-27 US disclosed
WO-2001081312-A2 METHOD OF TREATMENT USING PHENYL AND BIARYL DERIVATIVES AS PROSTAGLANDIN E INHIBITORS AND COMPOUNDS USEFUL THEREFORE MERCK FROSST CANADA & CO. (CA) 2001-11-01 WO disclosed
US-4760127-A Reacting dihalogen aromatics and alkali metal sulfide in presence of a monohalogen compound and a monomercapto compound BAYER AG (DE) 1988-07-26 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-20020082266-A1 Method of treatment using phenyl and biaryl derivatives as prostaglandin E inhibitors and compounds useful therefore PTGER1, PTGS1, PTGES ALDH1A1 300/4885MAOB 231/4885MEN1 1961/4885

“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.