SCHEMBL23797938

SCHEMBL23797938

CC(C)(C)OC(=O)n1cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.47
▸ MAPT P10636 9/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ PPARG P37231 1/20 0.41
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ RGS12 O14924 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL23797929 0.83 KDM4E (0.47) RAB9AALDH1A1KMT2AMEN1SCN9A
SCHEMBL1393642 0.81 MAPT (0.49) MAPTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL23797939 0.79 HSPB1 (0.46) HSPB1MAPTNPSR1RAB9AALDH1A1
SCHEMBL3060997 0.76 NOD2 (0.42) HSPB1MAPTNPSR1RAB9AALDH1A1
SCHEMBL21611381 0.76 GPR119 (0.42) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL3058743 0.76 HRH4 (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3056799 0.76 ALDH1A1 (0.45) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL3047375 0.76 MAPT (0.45) HSPB1MAPTNPSR1ALDH1A1LMNA
SCHEMBL29618954 0.75 PPARG (0.50) HSPB1MAPTNPSR1RAB9AALDH1A1
SCHEMBL29618958 0.75 PPARG (0.50) HSPB1MAPTNPSR1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-09-16 — — US disclosed
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-05-11 — — US disclosed
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF GRAY NATHANAEL S (US) 2022-04-28 — — US disclosed
EP-3876939-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-15 — — 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 (3 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-12415816-B2 Benzothiazole derivatives and 7-aza-benzothiazole derivatives as janus kinase 2 inhibitors and uses thereof JAK2, JAK1, JAK3 HSPB1 3971/4885MAPT 283/4885NPSR1 3691/4885
US-20230148448-A9 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 HSPB1 3971/4885MAPT 283/4885NPSR1 3691/4885
US-20220127284-A1 BENZOTHIAZOLE DERIVATIVES AND 7-AZA-BENZOTHIAZOLE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF JAK2, JAK1, JAK3 HSPB1 3971/4885MAPT 283/4885NPSR1 3691/4885

“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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