SCHEMBL20741593

SCHEMBL20741593

COC(=O)c1ccc(/N=N/c2ccccc2C)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 15/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49
▸ AHR P35869 1/20 0.47
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ GAA P10253 4/20 0.44

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
SCHEMBL20741612 0.84 TDP1 (0.58) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL3241977 0.82 MAPK1 (0.60) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL28394365 0.82 SLC6A3 (0.47) TDP1SMN1; SMN2TSHRMAPTRAB9A
SCHEMBL28389531 0.78 MAPT (0.45) TDP1SMN1; SMN2MAPK1MAPTL3MBTL1
SCHEMBL14130179 0.78 TDP1 (0.51) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL14130412 0.78 TP53 (0.51) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL12589874 0.77 KDM4E (0.46) TDP1SMN1; SMN2MAPTL3MBTL1RAB9A
SCHEMBL14130411 0.76 SMN1; SMN2 (0.49) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL14130404 0.75 AHR (0.66) TDP1SMN1; SMN2MAPK1TSHRTP53
SCHEMBL14130007 0.75 AHR (0.66) TDP1SMN1; SMN2MAPK1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11555026-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2023-01-17 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2021-01-21 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
US-10696650-B2 AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-30 — — US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — US disclosed
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2019-02-21 — — 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-11555026-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TDP1 3458/4885SMN1; SMN2 4882/4885MAPK1 2454/4885
US-20210017153-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TDP1 3458/4885SMN1; SMN2 4882/4885MAPK1 2454/4885
US-10696650-B2 AHR inhibitors and uses thereof AHR, ARNT, AIPL1 TDP1 3458/4885SMN1; SMN2 4882/4885MAPK1 2454/4885
US-20190055218-A1 AHR INHIBITORS AND USES THEREOF AHR, ARNT, AIPL1 TDP1 3458/4885SMN1; SMN2 4882/4885MAPK1 2454/4885

“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.

Send feedback