SCHEMBL21265705

SCHEMBL21265705

O=C(O)c1ncncc1OCCOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
PTK2B Q14289 1/20 0.43
P4HTM Q9NXG6 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.37
LNPEP Q9UIQ6 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL30876131 1.00 ALDH1A1 (0.43) ALDH1A1KMT2APTK2BP4HTMEGLN1
SCHEMBL31500545 0.87 P4HTM (0.48) KMT2APTK2BP4HTMNR4A1NR4A2
SCHEMBL21248064 0.81 ALDH1A1 (0.49) ALDH1A1KMT2APTK2BHTTSMN1; SMN2
SCHEMBL21248153 0.76 MAPT (0.44) ALDH1A1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL30876104 0.76 MAPT (0.44) ALDH1A1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL16610000 0.72 TSHR (0.58) ALDH1A1KMT2APTK2BTSHRLMNA
SCHEMBL21248383 0.71 CYP1A2 (0.44) ALDH1A1KMT2APTK2BP4HTMEGLN1
SCHEMBL16594423 0.70 TSHR (0.56) ALDH1A1KMT2APTK2BSMN1; SMN2TSHR
SCHEMBL16594604 0.70 TSHR (0.56) ALDH1A1KMT2APTK2BSMN1; SMN2TSHR
SCHEMBL21184469 0.70 TSHR (0.56) ALDH1A1KMT2APTK2BSMN1; SMN2TSHR

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
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 US disclosed
US-11407764-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2022-08-09 US disclosed
US-20210002297-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2021-01-07 US disclosed
US-10815250-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2020-10-27 US disclosed
CN-111683950-A AhR modulators 伊迪亚生物科学有限公司 2020-09-18 CN disclosed
US-20190270754-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2019-09-05 US disclosed
WO-2019156987-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-08-15 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-11407764-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 584/4885KMT2A 314/4885PTK2B 2260/4885
US-10815250-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20210002297-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885
US-20190270754-A1 AhR MODULATORS AHR, ARNT, RORB ALDH1A1 579/4885KMT2A 306/4885PTK2B 2284/4885

“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.