SCHEMBL24439587

SCHEMBL24439587

COc1ccc2c(c1)N(C(C)=O)c1ccccc1[S+]2[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ BCHE P06276 6/20 0.38
▸ ACHE P22303 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B3 P37058 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
SCHEMBL24439324 0.81 NOX1 (0.43) SNCAMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL24439313 0.81 HSD17B3 (0.41) MAPTSMN1; SMN2NPSR1GAANOX1
SCHEMBL30725915 0.81 NOX1 (0.43) SNCAMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL24439580 0.77 P2RX4 (0.43) SNCAMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL30725909 0.77 P2RX4 (0.43) SNCAMAPTSMN1; SMN2NPSR1KDM4E
SCHEMBL11381987 0.75 ACHE (0.42) MAPTKDM4EALDH1A1GAAACHE
SCHEMBL24439550 0.72 NOX1 (0.69) SNCAMAPTNOX1BCHEACHE
SCHEMBL7351312 0.69 CYP2D6 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1CYP1A2
SCHEMBL11377843 0.68 ACHE (0.42) MAPTKDM4EALDH1A1GAAACHE
SCHEMBL5126303 0.66 SMN1; SMN2 (0.68) SNCAMAPTSMN1; SMN2NPSR1KDM4E

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-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 — — US disclosed
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 — — US disclosed
US-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-25 — — US disclosed
WO-2022104070-A2 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-05-19 — — 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 (1 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-20240025868-A1 PHENOTHIAZINE COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND OTHER AGE-RELATED AND NEUROLOGICAL DISEASES ACE2, BACE2, PSEN2 SNCA 13/4885MAPT 11/4885SMN1; SMN2 203/4885

“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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