SCHEMBL17879961

SCHEMBL17879961

c1cc(-c2cccc(-c3ncc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2cccc(-c3cccc4c3sc3ccccc34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ LIMK1 P53667 4/20 0.36
▸ DNPH1 O43598 1/20 0.35
▸ PRKDC P78527 6/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAP3K8 P41279 3/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32

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
SCHEMBL17879973 1.00 ALOX5 (0.48) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879960 1.00 ALOX5 (0.48) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879963 0.99 ALOX5 (0.49) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879959 0.98 ALOX5 (0.49) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879978 0.98 ALOX5 (0.46) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879966 0.96 ALOX5 (0.47) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL21351306 0.95 ALOX5 (0.50) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879968 0.93 ALOX5 (0.44) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL17879965 0.93 ALOX5 (0.43) ALOX5LIMK1DNPH1PRKDCPARP14
SCHEMBL21351304 0.93 ALOX5 (0.48) ALOX5LIMK1DNPH1PRKDCPARP14

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-20160190479-A1 Light-Emitting Element, Organic Compound, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-30 — — US disclosed
US-20160190479-A1 Light-Emitting Element, Organic Compound, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-06-30 — — 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-20160190479-A1 Light-Emitting Element, Organic Compound, Light-Emitting Device, Electronic Device, and Lighting Device B4GALT1, DRD1, CRY1 ALOX5 948/4885LIMK1 890/4885DNPH1 3447/4885

“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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