SCHEMBL19490691

SCHEMBL19490691

BOc1ccccc1/C=N/c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GRIN2D O15399 2/20 0.34
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2A Q12879 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ GRIN3A Q8TCU5 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 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
SCHEMBL17297259 0.86 SMN1; SMN2 (0.49) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL19490690 0.84 SIRT2 (0.41) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL19490943 0.78 SIRT2 (0.46) MAPTALDH1A1KDM4EHPGDCA1
SCHEMBL16620938 0.78 ALDH1A1 (0.50) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL802774 0.78 ALDH1A1 (0.60) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL16620935 0.78 ALDH1A1 (0.50) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL3365481 0.78 ALDH1A1 (0.60) MAPTALDH1A1LMNAKDM4EHPGD
Lithium Ion SCHEMBL3399785 0.77 ALDH1A1 (0.59) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL19490692 0.75 SMN1; SMN2 (0.63) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL16621180 0.74 ALDH1A1 (0.55) MAPTALDH1A1LMNAKDM4EHPGD

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 MAPT 846/4885ALDH1A1 2400/4885LMNA 3321/4885

“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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