SCHEMBL22828658

SCHEMBL22828658

CCCCc1ccc(NC(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.53
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDR P35968 4/20 0.49
▸ RET P07949 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ CA12 O43570 1/20 0.48

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 0.81 KMT2A (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL4107205 0.79 TRPV1 (0.72) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828666 0.78 KMT2A (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828668 0.78 KMT2A (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL15094124 0.76 CA12 (0.74) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828216 0.76 KMT2A (0.52) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1519009 0.74 MEN1 (0.56) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL6584530 0.73 NPY5R (0.72) NPY5RNPC1RAB9AMAPTGAA
SCHEMBL4117293 0.72 CA12 (0.68) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL22828679 0.72 KMT2A (0.54) 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 NPY5R 3234/4885MEN1 2199/4885KMT2A 3772/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 NPY5R 3281/4885MEN1 1142/4885KMT2A 4188/4885

“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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