SCHEMBL19732115

SCHEMBL19732115

CP(=O)(I)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.44
KCNN4 O15554 4/20 0.44
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
FDPS P14324 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
NAPRT Q6XQN6 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.36
GAA P10253 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL19726388 0.83 KCNA5 (0.47) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL19726387 0.83 KCNA5 (0.47) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL19732117 0.79 CYP2A6 (0.39) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL19726392 0.79 KCNA5 (0.53) KCNA5KCNN4ALDH1A1NAPRTAPP
SCHEMBL14353950 0.78 KCNA5 (0.50) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL19726390 0.74 CYP2A6 (0.42) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL31193662 0.74 CA2 (0.52) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL19726386 0.74 CYP2A6 (0.42) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL3001998 0.74 CA2 (0.52) KCNA5KCNN4ALDH1A1CYP1A2CYP3A4
SCHEMBL26023315 0.72 KCNA5 (0.55) KCNA5KCNN4ALDH1A1NAPRTAPP

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-10553799-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 US disclosed
US-20170365794-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-12-21 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-20170365794-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 KCNA5 2105/4885KCNN4 2600/4885ALDH1A1 237/4885
US-10553799-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNA1 KCNA5 2105/4885KCNN4 2600/4885ALDH1A1 237/4885

“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.