SCHEMBL18577923

SCHEMBL18577923

S=P(c1ccccc1)(c1ccccc1)c1cnc(Br)nc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ NPSR1 Q6W5P4 8/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18577898 0.84 RAB9A (0.46) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL18577901 0.81 ESR1 (0.48) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL18577903 0.77 LMNA (0.40) NPSR1SMN1; SMN2GAAHTTALDH1A1
SCHEMBL517954 0.75 ESR1 (0.68) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL31176947 0.72 ESR1 (0.65) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL9772833 0.72 ESR1 (0.65) ESR1ESR2NPSR1SMN1; SMN2GAA
Phosphine SCHEMBL15190577 0.72 ESR1 (0.65) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL18577902 0.72 ESR1 (0.58) ESR1ESR2NPSR1SMN1; SMN2GAA
SCHEMBL18577907 0.68 SMN1; SMN2 (0.46) NPSR1SMN1; SMN2GAAALDH1A1KCNA5
SCHEMBL18577894 0.67 ESR1 (0.46) ESR1ESR2SMN1; SMN2GAAALDH1A1

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-9997722-B2 Compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-12 — — US disclosed
US-20170069849-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-09 — — 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-20170069849-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ELOVL1, L1CAM, CRY1 ESR1 13/4885ESR2 102/4885NPSR1 4195/4885

“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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