SCHEMBL19786658

SCHEMBL19786658

Clc1nc(-c2ccc3ccccc3c2)nc2sc3cc4ccccc4cc3c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ AR P10275 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MEN1 O00255 2/20 0.33

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
SCHEMBL19660799 0.89 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDNPC1POLB
SCHEMBL20670259 0.85 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDNPC1POLB
SCHEMBL20659809 0.75 NR4A2 (0.40) ALDH1A1SMN1; SMN2HPGDNPC1POLB
SCHEMBL18553249 0.75 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2HPGDNPC1POLB
SCHEMBL22310096 0.74 GSTP1 (0.32) ALDH1A1SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL18853456 0.74 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL18853450 0.74 HPGD (0.40) ALDH1A1SMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL18853474 0.74 ADORA2A (0.37) SMN1; SMN2HPGDMAPTRAB9AMEN1
SCHEMBL18853398 0.73 ADORA2A (0.41) ALDH1A1SMN1; SMN2HPGDNPC1KDM4E
SCHEMBL21282036 0.73 NPC1 (0.43) ALDH1A1SMN1; SMN2HPGDNPC1POLB

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-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-10-03 — — US disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 — — WO 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-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF ORC3, OR51E2, ORAI2 ALDH1A1 2141/4885SMN1; SMN2 1781/4885HPGD 3498/4885

“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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