SCHEMBL5101469

SCHEMBL5101469

[c]1nsc2cccc(-c3nc4ccccc4s3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.54
▸ RAB9A P51151 10/20 0.54
▸ NPC1 O15118 9/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPT P10636 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ GAA P10253 4/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 3/20 0.46
▸ ILK Q13418 3/20 0.44
▸ GLA P06280 2/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ APP P05067 1/20 0.43

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
SCHEMBL231307 0.78 KDM4E (0.75) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL12854008 0.76 KDM4E (0.72) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL5780741 0.75 KDM4E (0.50) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL2225061 0.74 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL22052874 0.74 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL30689066 0.74 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL29808854 0.72 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL1550056 0.72 KDM4E (0.71) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL2846634 0.72 KDM4E (0.62) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL827403 0.72 RAB9A (0.67) KDM4ERAB9ANPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551141-A Organometallic compound and organic light emitting device including the same 三星显示有限公司 2024-02-13 — — CN claimed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 — — US claimed
US-6632795-B1 Treatment of cancer BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 — — US claimed
EP-0966443-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1999-12-29 — — EP disclosed
WO-1998038167-A1 HETEROARYL-HEXANOIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE INHIBITORS OF MIP-1-ALPHA BINDING TO ITS CCR1 RECEPTOR PFIZER INC. (US) 1998-09-03 — — WO disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 — — 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-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A KDM4E 3808/4885RAB9A 2129/4885NPC1 1637/4885

“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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