SCHEMBL21438168

SCHEMBL21438168

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 6/20 0.67
▸ F7 P08709 1/20 0.52
▸ F3 P13726 1/20 0.52
▸ PYGL P06737 1/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GABRP O00591 2/20 0.48
▸ GABRD O14764 2/20 0.48
▸ GABRA1 P14867 2/20 0.48
▸ GABRB1 P18505 2/20 0.48
▸ GABRG2 P18507 2/20 0.48
▸ GABRB3 P28472 2/20 0.48
▸ GABRA5 P31644 2/20 0.48
▸ GABRA3 P34903 2/20 0.48
▸ GABRA2 P47869 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ GABRA4 P48169 2/20 0.48
▸ GABRE P78334 2/20 0.48
▸ GABRA6 Q16445 2/20 0.48

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
SCHEMBL21437660 0.91 NR4A2 (0.67) NR4A2PYGLMEN1MAPTKMT2A
SCHEMBL21438565 0.86 NR4A2 (0.67) NR4A2MEN1MAPTKMT2AAHR
SCHEMBL21438639 0.86 NR4A2 (0.67) NR4A2MEN1MAPTKMT2AGABRA1
SCHEMBL21366224 0.84 MEN1 (0.68) NR4A2MEN1MAPTKMT2AAHR
SCHEMBL22462609 0.82 MEN1 (0.72) NR4A2F7F3PYGLMEN1
SCHEMBL4242189 0.81 NR4A2 (1.00) NR4A2F7F3PYGLGABRP
SCHEMBL21438336 0.79 NR4A2 (0.70) NR4A2MEN1MAPTKMT2AAHR
SCHEMBL21438856 0.79 NR4A2 (0.70) NR4A2MEN1MAPTKMT2AAHR
SCHEMBL20258217 0.75 NR4A2 (0.81) NR4A2F7F3PYGLGABRP
SCHEMBL21437542 0.75 MAP2K1 (0.69) NR4A2MEN1MAPTKMT2AAHR

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 11/4885F7 4142/4885F3 1438/4885
US-11634408-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885F7 4142/4885F3 1438/4885
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF AHR, ARNT, NR4A1 NR4A2 14/4885F7 4104/4885F3 1417/4885
US-12152016-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885F7 4142/4885F3 1438/4885

“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.

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