SCHEMBL19490690

SCHEMBL19490690

BOc1ccccc1/C=N/c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAOB P27338 4/20 0.37
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA7 P43166 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL19624623 0.85 SMN1; SMN2 (0.52) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL19490691 0.84 MAPT (0.47) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL19490943 0.82 SIRT2 (0.46) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL11564421 0.81 KDM4E (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL19490683 0.80 PTGS2 (0.48) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL3365845 0.76 SIRT2 (0.73) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL16620313 0.76 ALDH1A1 (0.47) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL3365850 0.76 SIRT2 (0.73) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL16620314 0.76 ALDH1A1 (0.47) SIRT2ALDH1A1GAAMAPTMEN1
SCHEMBL19490692 0.76 SMN1; SMN2 (0.63) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20170365789-A1 COMPOUND, MIXTURE COMPRISING THE SAME, COMPOSITION AND ORGANIC ELECTRONIC DEVICE DDT, DRD3, ICMT SIRT2 275/4885ALDH1A1 2400/4885GAA 4044/4885

“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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