SCHEMBL24573127

SCHEMBL24573127

O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 5/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ KLKB1 P03952 5/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL24208321 0.94 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208539 0.94 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL30391504 0.94 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208374 0.90 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208601 0.90 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208486 0.88 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208327 0.85 AAK1 (0.47) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208367 0.84 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208399 0.84 ALDH1A1 (0.43) ALDH1A1POLBSMN1; SMN2RAB9AL3MBTL1
SCHEMBL24208413 0.84 TGM2 (0.48) ALDH1A1MAPTKMT2AMEN1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 — — US disclosed
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2022140403-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140397-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140387-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140410-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 ALDH1A1 4735/4885POLB 953/4885SMN1; SMN2 2644/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885POLB 430/4885SMN1; SMN2 2298/4885

“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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