SCHEMBL22828682

SCHEMBL22828682

CCCCc1ccc(NC(=O)Nc2c[nH]c(-c3ncccn3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ TRPV1 Q8NER1 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL23719153 0.84 KMT2A (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828373 0.80 NPC1 (0.48) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828680 0.77 CA12 (0.46) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL15094124 0.77 CA12 (0.74) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828398 0.74 CA12 (0.51) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4107205 0.74 TRPV1 (0.72) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4117293 0.73 CA12 (0.68) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828399 0.73 CA12 (0.49) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL15093703 0.72 CA12 (0.73) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22059473 0.72 RARB (0.69) MEN1KMT2ANPC1RAB9ACASP3

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 MEN1 2199/4885KMT2A 3772/4885NPC1 859/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 MEN1 1142/4885KMT2A 4188/4885NPC1 249/4885

“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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