SCHEMBL18577907

SCHEMBL18577907

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NFKB1 P19838 2/20 0.46
▸ NFKB2 Q00653 2/20 0.46
▸ RELA Q04206 2/20 0.46
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CA2 P00918 1/20 0.34

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
SCHEMBL18577903 0.86 LMNA (0.40) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL18577898 0.85 RAB9A (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL18577894 0.84 ESR1 (0.46) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL2546504 0.80 RAB9A (0.61) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL4774848 0.79 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL22174892 0.79 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL5444731 0.79 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9927206 0.79 LMNA (0.56) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL21066301 0.79 LMNA (0.42) SMN1; SMN2NPC1RAB9ANFKB1NFKB2
SCHEMBL16161040 0.79 NPC1 (0.47) SMN1; SMN2NPC1RAB9ANFKB1NFKB2

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

“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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