SCHEMBL5938

SCHEMBL5938

Brc1cccc2[nH]c(-c3ccccc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.56
PARP1 P09874 3/20 0.56
GAA P10253 6/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
GRIN2B Q13224 1/20 0.50
MGAM O43451 4/20 0.49
SI P14410 4/20 0.49
MGAM2 Q2M2H8 4/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PTGES O14684 1/20 0.48
RPS6KA3 P51812 1/20 0.46
MAPK13 O15264 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL29967798 1.00 DHODH (0.56) DHODHPARP1GAANPC1RAB9A
SCHEMBL29056629 0.85 GAA (0.68) DHODHPARP1GAANPC1RAB9A
SCHEMBL29056668 0.82 MGAM (0.69) DHODHPARP1GAAMGAMSI
SCHEMBL29056753 0.82 GAA (0.69) PARP1GAAMGAMSIMGAM2
SCHEMBL29056652 0.82 PTGES (0.56) PARP1GAANPC1RAB9AMGAM
SCHEMBL29056720 0.81 PARP1 (0.62) DHODHPARP1GAANPC1RAB9A
SCHEMBL29056651 0.81 MGAM (0.48) DHODHPARP1GAANPC1RAB9A
SCHEMBL29056620 0.81 MGAM (0.51) DHODHPARP1GAAMGAMSI
SCHEMBL3286051 0.81 HDAC6 (0.60) PARP1GAAMGAMSIMGAM2
SCHEMBL31027957 0.80 DHODH (0.59) DHODHPARP1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11696492-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-04 US disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed
US-11424420-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2022-08-23 US disclosed
US-20200220090-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-07-09 US disclosed
US-20190074455-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-03-07 US disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 US disclosed
EP-2242746-A1 HETEROCYCLICALLY-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009098000-A1 HETEROCYCLICALLY-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 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 (6 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 DHODH 212/4885PARP1 1121/4885GAA 552/4885
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof GIPR, DDC, PGC DHODH 190/4885PARP1 3657/4885GAA 160/4885
US-20200220090-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 DHODH 691/4885PARP1 504/4885GAA 1427/4885
US-20190074455-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L1CAM, SOD1, OR10J3 DHODH 3849/4885PARP1 1405/4885GAA 535/4885
US-11696492-B2 Organic electroluminescent materials and devices OCIAD1, OCIAD2, ODC1 DHODH 691/4885PARP1 504/4885GAA 1427/4885
US-11424420-B2 Organic electroluminescent materials and devices L1CAM, SOD1, OR10J3 DHODH 3849/4885PARP1 1405/4885GAA 535/4885

“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.