SCHEMBL17445468

SCHEMBL17445468

Clc1nc(-c2ccc3oc4ccccc4c3c2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 1/20 0.47
▸ AHR P35869 2/20 0.46
▸ CHEK2 O96017 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NR1I3 Q14994 1/20 0.41
▸ PDE5A O76074 2/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 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
SCHEMBL21174620 0.91 AHR (0.50) METAP1AHRMAPTNPC1MEN1
SCHEMBL31332551 0.91 AHR (0.50) METAP1AHRMAPTNPC1MEN1
SCHEMBL15501770 0.82 MAPT (0.55) AHRCHEK2MAPTNPC1MEN1
SCHEMBL23079609 0.81 AHR (0.51) AHRCHEK2MAPTNPC1MEN1
SCHEMBL30997077 0.81 AHR (0.51) AHRCHEK2MAPTNPC1MEN1
SCHEMBL23080011 0.81 AHR (0.51) AHRCHEK2MAPTNPC1MEN1
SCHEMBL20248549 0.81 MEN1 (0.56) CHEK2MAPTNPC1MEN1KMT2A
SCHEMBL23268362 0.81 HPGD (0.50) AHRCHEK2MAPTNPC1MEN1
SCHEMBL17214814 0.81 HPGD (0.50) AHRCHEK2MAPTNPC1MEN1
SCHEMBL15501785 0.81 HPGD (0.50) AHRCHEK2MAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 — — US disclosed
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same LG CHEM, LTD. (KR) 2021-12-07 — — US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 — — US disclosed
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-02-13 — — US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 — — US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 — — US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 — — 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 (3 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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 METAP1 3160/4885AHR 1832/4885CHEK2 2271/4885
US-11192884-B2 Heterocyclic compound and organic light-emitting device comprising same CYP1A1, CYP1B1, CRY1 METAP1 3913/4885AHR 89/4885CHEK2 2353/4885
US-20200048226-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CYP1A1, CYP1B1, CRY1 METAP1 3913/4885AHR 89/4885CHEK2 2353/4885

“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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