SCHEMBL23539722

SCHEMBL23539722

N#Cc1cccc(-c2noc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNA5 P30532 1/20 0.53
CHRNA4 P43681 1/20 0.53
CLK4 Q9HAZ1 4/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
GRM5 P41594 3/20 0.49
NOTUM Q6P988 1/20 0.41
IDO1 P14902 1/20 0.41
S1PR3 Q99500 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL30041989 1.00 CHRNB2 (0.53) CHRNB2CHRNA5CHRNA4CLK4HDAC6
SCHEMBL4957967 0.79 NPC1 (0.52) HDAC6HDAC1GRM5L3MBTL1MEN1
SCHEMBL30041909 0.78 NOTUM (0.57) CHRNB2CHRNA5CHRNA4CLK4GRM5
SCHEMBL23539548 0.78 NOTUM (0.57) CHRNB2CHRNA5CHRNA4CLK4GRM5
SCHEMBL13130237 0.78 L3MBTL1 (0.70) CHRNB2CHRNA5CHRNA4CLK4GRM5
SCHEMBL29176843 0.78 L3MBTL1 (0.44) HDAC6HDAC1HDAC8L3MBTL1ALDH1A1
SCHEMBL4958154 0.78 TP53 (0.52) HDAC6HDAC1HDAC8GRM5L3MBTL1
SCHEMBL1545138 0.77 CHRNB2 (0.53) CHRNB2CHRNA5CHRNA4CLK4HDAC6
SCHEMBL3634573 0.76 NR1H4 (0.57) NOTUML3MBTL1ALDH1A1CYP1A2MEN1
SCHEMBL12704747 0.74 CHRNB2 (0.53) CHRNB2CHRNA5CHRNA4CLK4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2023-09-21 US disclosed
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2023-03-21 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE 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-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE 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 (5 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-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA5 938/4885CHRNA4 1024/4885
US-11608329-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA5 938/4885CHRNA4 1024/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA5 938/4885CHRNA4 1024/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA5 938/4885CHRNA4 1024/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA5 938/4885CHRNA4 1024/4885

“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.