SCHEMBL19797417

SCHEMBL19797417

O=P(c1ccccc1)(c1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 7/20 0.46
▸ KCNN4 O15554 5/20 0.46
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ USP8 P40818 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL28506438 0.90 KCNA5 (0.46) KCNA5KCNN4CYP11B1CYP11B2GAA
SCHEMBL26023315 0.89 KCNA5 (0.55) KCNA5KCNN4CYP11B1CYP11B2GAA
SCHEMBL14354081 0.89 KCNA5 (0.55) KCNA5KCNN4CYP11B1CYP11B2GAA
SCHEMBL6568180 0.83 ALDH1A1 (0.52) GAALMNAMEN1KMT2AMAPT
SCHEMBL2678331 0.83 ALDH1A1 (0.52) GAALMNAMEN1KMT2AMAPT
SCHEMBL14353950 0.83 KCNA5 (0.50) KCNA5KCNN4GAACYP19A1ALDH1A1
SCHEMBL11868638 0.81 ALDH1A1 (0.50) GAALMNAMEN1KMT2AMAPT
SCHEMBL21275949 0.81 RAB9A (0.49) KCNA5KCNN4GAACYP19A1LMNA
SCHEMBL17614689 0.80 KCNA5 (0.55) KCNA5KCNN4GAALMNAMAPT
SCHEMBL21309077 0.79 ALDH1A1 (0.61) GAALMNAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — 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-20180026206-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP1B1 KCNA5 1497/4885KCNN4 2854/4885CYP11B1 140/4885

“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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