SCHEMBL23538255

SCHEMBL23538255

O=C(Cl)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK1 P49759 1/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ RAD52 P43351 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ DNA2 P51530 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CDK2 P24941 2/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ MET P08581 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL23551500 0.87 CLK1 (0.47) CLK1BACE1RAD52NPC1DNA2
SCHEMBL2883174 0.87 CLK1 (0.47) CLK1BACE1RAD52NPC1DNA2
SCHEMBL20120121 0.84 DNA2 (0.56) CLK1BACE1RAD52NPC1DNA2
SCHEMBL24735662 0.82 PBRM1 (0.53) CLK1BACE1RAD52NPC1DNA2
SCHEMBL259817 0.82 BACE1 (0.46) CLK1BACE1RAD52NPC1DNA2
SCHEMBL1821905 0.79 NPC1 (0.46) CLK1BACE1RAD52NPC1RAB9A
SCHEMBL23551492 0.79 BACE1 (0.45) CLK1BACE1RAD52NPC1DNA2
SCHEMBL2843773 0.79 NR4A2 (0.62) CLK1BACE1RAD52NPC1RAB9A
SCHEMBL3259281 0.77 CLK1 (0.39) CLK1BACE1RAD52NPC1DNA2
SCHEMBL571879 0.77 DNA2 (0.63) CLK1NPC1DNA2CASP6CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 — — US disclosed
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 — — US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 — — WO disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 — — 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CLK1 4690/4885BACE1 1905/4885RAD52 2697/4885

“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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