SCHEMBL5417643

SCHEMBL5417643

CCCCCCCCOc1ccc(N(C(=O)NC2CCCCC2)c2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
NPC1 O15118 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5429220 0.86 ATP4A (0.50) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL5419935 0.85 ATP4A (0.49) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4655616 0.84 ATP4A (0.53) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4656576 0.83 ATP4A (0.52) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4656417 0.83 ATP4A (0.52) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4656737 0.83 ATP4A (0.50) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL9105211 0.83 ATP4A (0.52) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4656445 0.80 ATP4A (0.49) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL4656438 0.80 ATP4A (0.49) ATP4AATP4BNPC1NFKB1NFKB2
SCHEMBL3132564 0.76 ATP4A (0.52) ATP4AATP4BNPC1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF ARYL THERAPEUTICS, INC. 2021-07-29 US disclosed
EP-2460800-A1 Substituted aminothiazole derivatives with anti-HCV activity Achillion Pharmaceuticals, Inc. (US) 2012-06-06 EP disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 US disclosed
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity ACHILLION PHARMACEUTICALS, INC. (US) 2007-09-13 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 (4 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-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 ATP4A 2837/4885ATP4B 3035/4885HRH2 56/4885
US-20230295147-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ATP4A 2837/4885ATP4B 3035/4885HRH2 56/4885
US-20070213301-A1 Substituted Aminothiazole Derivatives With Anti-HCV Activity EIF2AK2, BCAT1, IL4I1 ATP4A 2766/4885ATP4B 2906/4885HRH2 1401/4885
US-20210230153-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 ATP4A 2837/4885ATP4B 3035/4885HRH2 56/4885

“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.