SCHEMBL18632804

SCHEMBL18632804

BOc1ccccc1/C=N/c1ccccc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ HPGD P15428 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ G6PD P11413 1/20 0.33
▸ MPI P34949 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL19490831 0.88 CA12 (0.52) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL19490684 0.80 MAPT (0.54) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL19490832 0.76 MAPT (0.47) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL19490692 0.76 SMN1; SMN2 (0.63) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL19490943 0.75 SIRT2 (0.46) CA12CA2CA9ALDH1A1HPGD
SCHEMBL3068132 0.74 CA12 (0.75) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL6655954 0.74 CA12 (0.75) CA12CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL19490686 0.72 MAPT (0.56) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL19490647 0.72 DHODH (0.56) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
Hydrochloric Acid SCHEMBL30532247 0.71 CA12 (0.70) CA12CA2CA9SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10580994-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-03-03 — — US disclosed
US-20170077414-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 — — 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-10580994-B2 Compound and organic light-emitting device including the same VDAC1, TMEM109, ELOVL1 CA12 4122/4885CA2 2776/4885CA9 2433/4885
US-20170077414-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME VDAC1, TMEM109, ELOVL1 CA12 4122/4885CA2 2776/4885CA9 2433/4885

“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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