SCHEMBL22828675

SCHEMBL22828675

CCCCc1ccc(NC(=O)Nc2c[nH]nc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ TRPV1 Q8NER1 1/20 0.52
▸ GAA P10253 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.46

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
SCHEMBL23719198 0.85 POLB (0.44) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL22828216 0.82 KMT2A (0.52) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL22828377 0.81 EPHX1 (0.54) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL15094124 0.81 CA12 (0.74) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL25120694 0.80 HPGD (0.43) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL22828402 0.79 MEN1 (0.48) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL22828379 0.79 MEN1 (0.51) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL22828687 0.79 NPC1 (0.46) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL23719200 0.78 SMN1; SMN2 (0.53) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL22828673 0.78 MEN1 (0.47) HPGDALDH1A1NPC1RAB9AMEN1

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 HPGD 1489/4885ALDH1A1 4654/4885NPC1 859/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 HPGD 3415/4885ALDH1A1 4735/4885NPC1 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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