SCHEMBL22828229

SCHEMBL22828229

CCOCc1ccc(NC(=S)Nc2c[nH]c(-c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALOX12 P18054 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ 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
SCHEMBL22828386 0.88 RAB9A (0.43) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL22828232 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL22828236 0.80 RAB9A (0.36) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL23719153 0.71 KMT2A (0.52) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL31037014 0.69 PDE10A (0.54) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL22828396 0.69 STING1 (0.41) ALDH1A1KMT2AMAPTGAAMEN1
SCHEMBL22828405 0.68 RAB9A (0.46) KMT2AMAPTMEN1SMN1; SMN2RAB9A
SCHEMBL23719154 0.67 TP53 (0.57) KMT2AMAPTMEN1NPSR1SMN1; SMN2
SCHEMBL2614813 0.67 IDO1 (0.57) GAALMNA
SCHEMBL22049467 0.67 ALDH1A1 (0.47) ALDH1A1KMT2AMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — 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 (2 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885KMT2A 3772/4885MAPT 3027/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ALDH1A1 4735/4885KMT2A 4188/4885MAPT 3503/4885

“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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