SCHEMBL22462503

SCHEMBL22462503

O=C(O)c1c[nH]c2c(Br)cc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.43
▸ CSNK2A2 P19784 4/20 0.39
▸ CSNK2B P67870 4/20 0.39
▸ CSNK2A1 P68400 4/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 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
SCHEMBL23622948 0.82 F7 (0.51) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL20605026 0.82 MYC (0.47) HSD17B10CSNK2A2CSNK2BCSNK2A1F7
SCHEMBL30993539 0.78 NR4A2 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL31022882 0.78 GABRA1 (0.42) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL20604918 0.77 CYP1A2 (0.46) GPR35CYP1A2ALDH1A1POLBMAPT
SCHEMBL25369531 0.75 CYP3A4 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1ALDH1A1
SCHEMBL3762044 0.74 KDM4E (0.50) HSD17B10CSNK2A2CSNK2BCSNK2A1CYP1A2
SCHEMBL23138185 0.71 SLC22A6 (0.46) HSD17B10KDM4EALDH1A1POLBMAPT
SCHEMBL9288270 0.71 AKR1C3 (0.39) AKR1C4AKR1C3AKR1C2AKR1C1HSD17B10
SCHEMBL5079577 0.71 KMT2A (0.51) HSD17B10KDM4EALDH1A1POLBMAPT

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
US-11891386-B2 Indole compounds and their use ARIAGEN, INC. (CA) 2024-02-06 — — US disclosed
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 — — US disclosed
US-20230054194-A1 Methods of Treating Cancer ARIAGEN, INC. (US) 2023-02-23 — — US disclosed
US-11459322-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-10-04 — — US disclosed
US-11427576-B2 Indole compounds and their use ARIAGEN, INC. (US) 2022-08-30 — — US disclosed
EP-3883605-A1 METHODS OF TREATING CANCER Ariagen, Inc. (US) 2021-09-29 — — EP disclosed
US-20210179604-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2021-06-17 — — US disclosed
US-20200354353-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2020-11-12 — — US disclosed
EP-3713937-A2 INDOLE COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) MODULATORS Ariagen, Inc. (US) 2020-09-30 — — EP 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 (7 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-20210179604-A1 Indole Compounds and Their Use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885
US-11459322-B2 Indole compounds and their use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885
US-20200354353-A1 Indole Compounds and Their Use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885
US-11427576-B2 Indole compounds and their use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885
US-11891386-B2 Indole compounds and their use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885
US-20230054194-A1 Methods of Treating Cancer TP53, MSH2, PDCD1 AKR1C4 4315/4885AKR1C3 4110/4885AKR1C2 4206/4885
US-20230145074-A1 Indole Compounds and Their Use IDO1, IDO2, INMT AKR1C4 2948/4885AKR1C3 2231/4885AKR1C2 2725/4885

“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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