SCHEMBL19490943

SCHEMBL19490943

BOc1ccccc1/C=N/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAOB P27338 3/20 0.40
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CA7 P43166 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 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
SCHEMBL19490683 0.86 PTGS2 (0.48) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL19490831 0.82 CA12 (0.52) SIRT2ALDH1A1HPGDCA2CA9
SCHEMBL19490690 0.82 SIRT2 (0.41) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL31682616 0.81 GRIN2D (0.53) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL5178571 0.81 GRIN2D (0.53) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL9754405 0.81 GRIN2D (0.53) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL19490691 0.78 MAPT (0.47) SIRT2ALDH1A1HPGDMAOBCA1
SCHEMBL11803784 0.77 ALDH1A1 (0.53) ALDH1A1HPGDMAOBMAPTMEN1
SCHEMBL11803780 0.77 ALDH1A1 (0.53) ALDH1A1HPGDMAOBMAPTMEN1
SCHEMBL18632804 0.75 CA12 (0.41) ALDH1A1HPGDCA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 — — EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-10364316-B2 Conjugated polymer containing ethynyl crosslinking group, mixture, formulation, organic electronic device containing the same and application therof GUANGZHOU CHINARAY OPTOELECTRONICS MATERIALS LTD. (CN) 2019-07-30 — — US disclosed
US-9991451-B2 Organic light-emitting device, display apparatus, image display apparatus, lighting apparatus, image formation apparatus, and exposure apparatus CANON KABUSHIKI KAISHA (JP) 2018-06-05 — — US disclosed
US-20180022865-A1 CONJUGATED POLYMER CONTAINING ETHYNYL CROSSLINKING GROUP, MIXTURE COMPOSITION, ORGANIC ELECTRONIC DEVICE CONTINAING THE SAME AND APPLICATION THEROF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2018-01-25 — — US disclosed
US-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2017-12-21 — — US disclosed
EP-2232611-B1 BARRIER COATED SUBSTRATE AND ELECTRO-OPTICAL DEVICE MERCK PATENT GMBH (DE) 2017-11-01 — — EP disclosed
US-9796684-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-10-24 — — 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-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 SIRT2 1274/4885ALDH1A1 789/4885HPGD 3332/4885
US-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE DDT, DRD3, ICMT SIRT2 275/4885ALDH1A1 2400/4885HPGD 1105/4885

“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.

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