SCHEMBL21438565

SCHEMBL21438565

COC(=O)c1cccc(C(=O)c2c[nH]c3ccc(OC)cc23)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 5/20 0.67
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ MITF O75030 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TUBB1 Q9H4B7 1/20 0.50
▸ CPT1A P50416 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HTR4 Q13639 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDR P35968 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ IMPDH2 P12268 1/20 0.47

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
SCHEMBL21449261 0.87 NR4A2 (0.57) NR4A2MEN1KMT2AMAPTLMNA
SCHEMBL21438168 0.86 NR4A2 (0.67) NR4A2MEN1KMT2AMAPTAHR
SCHEMBL21438639 0.86 NR4A2 (0.67) NR4A2MEN1KMT2AMAPTCYP1A2
SCHEMBL21366224 0.84 MEN1 (0.68) NR4A2MEN1KMT2AMAPTNPSR1
SCHEMBL21366322 0.82 MAPT (0.72) NR4A2MEN1KMT2AMAPTLMNA
SCHEMBL5068806 0.81 NR4A2 (1.00) NR4A2MEN1KMT2AMAPTLMNA
SCHEMBL27908679 0.81 NR4A2 (0.77) NR4A2MEN1KMT2AMAPTLMNA
SCHEMBL21437660 0.79 NR4A2 (0.67) NR4A2MEN1KMT2AMAPTTUBB1
SCHEMBL24554470 0.78 TUBB1 (0.60) NR4A2MEN1KMT2AMAPTNPSR1
SCHEMBL29682755 0.78 TUBB1 (0.60) NR4A2MEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774767-B1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CT INC (US) 2025-10-29 — — EP disclosed
US-12152016-B2 Aryl hydrocarbon receptor modulators and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-11-26 — — US disclosed
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2023-09-07 — — US disclosed
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2023-09-07 — — US disclosed
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2023-09-07 — — US disclosed
US-11634408-B2 Aryl hydrocarbon receptor modulators and uses thereof BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2023-04-25 — — US disclosed
US-20210147390-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-05-20 — — US disclosed
US-20210147390-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-05-20 — — US disclosed
EP-3774767-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF Beth Israel Deaconess Medical Center, Inc. (US) 2021-02-17 — — EP disclosed
WO-2019195682-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-10-10 — — WO disclosed
WO-2019195682-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-10-10 — — 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 (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-20210147390-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF AHR, ARNT, NR4A1 NR4A2 11/4885MEN1 4130/4885KMT2A 1938/4885
US-11634408-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885MEN1 4130/4885KMT2A 1938/4885
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF AHR, ARNT, NR4A1 NR4A2 14/4885MEN1 3988/4885KMT2A 1946/4885
US-12152016-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885MEN1 4130/4885KMT2A 1938/4885

“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