SCHEMBL21438856

SCHEMBL21438856

COC(=O)c1cccc(C(=O)c2c[nH]c3cccc(Cl)c23)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 5/20 0.70
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CREBBP Q92793 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AHR P35869 2/20 0.42
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ NQO2 P16083 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL9937058 0.83 NR4A2 (1.00) NR4A2CREBBPSMN1; SMN2RAB9AGPR84
SCHEMBL21366224 0.81 MEN1 (0.68) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL21438336 0.81 NR4A2 (0.70) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL21438168 0.79 NR4A2 (0.67) NR4A2MAPTMEN1KMT2AAHR
SCHEMBL21437660 0.79 NR4A2 (0.67) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL13013339 0.75 NR4A2 (0.74) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL21438565 0.74 NR4A2 (0.67) NR4A2MAPTMEN1KMT2ACYP1A2
SCHEMBL21438639 0.74 NR4A2 (0.67) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL21437542 0.72 MAP2K1 (0.69) NR4A2MAPTMEN1KMT2ACREBBP
SCHEMBL69653 0.72 MAPT (0.64) MAPTMEN1KMT2ACYP1A2SMN1; SMN2

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 11/4885MAPT 2370/4885MEN1 4130/4885
US-11634408-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885MAPT 2370/4885MEN1 4130/4885
US-20230278986-A1 ARYL HYDROCARBON RECEPTOR MODULATORS AND USES THEREOF AHR, ARNT, NR4A1 NR4A2 14/4885MAPT 2249/4885MEN1 3988/4885
US-12152016-B2 Aryl hydrocarbon receptor modulators and uses thereof AHR, ARNT, NR4A1 NR4A2 11/4885MAPT 2370/4885MEN1 4130/4885

“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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