SCHEMBL18577898

SCHEMBL18577898

S=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cnc(Br)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL18577907 0.85 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL18577923 0.84 ESR1 (0.45) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL18577894 0.84 ESR1 (0.46) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2546504 0.80 RAB9A (0.61) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL4780784 0.79 ESR1 (0.64) ESR1ESR2NPSR1ALDH1A1MAPK1
SCHEMBL18577901 0.79 ESR1 (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL17451993 0.73 PDGFRB (0.58) ESR2NPSR1
SCHEMBL22639227 0.71 ESR1 (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL22639206 0.71 ESR1 (0.48) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL18577903 0.71 LMNA (0.40) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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 RAB9A 3558/4885SMN1; SMN2 1148/4885NPC1 3877/4885

“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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