SCHEMBL22828396

SCHEMBL22828396

CCC(F)(F)Cc1ccc(NC(=O)Nc2c[nH]c(-c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.41
▸ GHSR Q92847 1/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ NOX1 Q9Y5S8 2/20 0.39
▸ RORC P51449 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ S1PR2 O95136 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL23719153 0.81 KMT2A (0.52) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL22828386 0.81 RAB9A (0.43) STING1GHSRRAB9ANPC1TP53
SCHEMBL23719154 0.80 TP53 (0.57) RAB9ANPC1TP53KMT2AMEN1
SCHEMBL22828234 0.79 CNR1 (0.47) GHSRRAB9ANPC1KMT2AMEN1
SCHEMBL31037014 0.73 PDE10A (0.54) RAB9ANPC1TP53POLBKMT2A
SCHEMBL22828229 0.69 ALDH1A1 (0.47) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL22828232 0.69 ALDH1A1 (0.38) STING1RAB9ATP53KMT2AMEN1
SCHEMBL22049564 0.68 STING1 (0.54) STING1RAB9ANPC1KMT2AMEN1
SCHEMBL22828682 0.66 MEN1 (0.56) RAB9ANPC1POLBKMT2AMEN1
SCHEMBL18236215 0.66 SMN1; SMN2 (0.61) RAB9ANPC1TP53POLBKMT2A

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 STING1 1/4885GHSR 1838/4885RAB9A 876/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 STING1 1/4885GHSR 1489/4885RAB9A 1457/4885

“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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