SCHEMBL22667294

SCHEMBL22667294

COC(=O)C(C(=O)OC)c1ccc(Br)cc1NO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
LPAR1 Q92633 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
GPR35 Q9HC97 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BCL2 P10415 1/20 0.34
NR4A2 P43354 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL10153310 0.77 NR4A2 (0.47) ALDH1A1L3MBTL1NR4A2GAAMAPT
SCHEMBL2608522 0.76 ALDH1A1 (0.38) ALDH1A1HDAC1HDAC6LPAR1KDM4E
SCHEMBL395221 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMAPK1MAPTRAB9A
SCHEMBL30558592 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EMAPK1MAPTRAB9A
SCHEMBL9942862 0.71 ABCG2 (0.52) ALDH1A1L3MBTL1KDM4ENR4A2MAPK1
SCHEMBL23606883 0.71 MEN1 (0.40) ALDH1A1HDAC1HDAC6MEN1KMT2A
SCHEMBL30443727 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL1478090 0.70 MT-CO2 (0.42) ALDH1A1LPAR1KDM4EMEN1KMT2A
SCHEMBL999785 0.70 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL15300893 0.69 ALDH1A1 (0.42) ALDH1A1LPAR1L3MBTL1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2021-11-02 US disclosed
US-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors NOVARTIS AG (CH) 2020-11-19 US 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-20200360357-A1 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B ALDH1A1 118/4885HDAC1 3909/4885HDAC6 3268/4885
US-11160797-B2 Pyridinone derivatives and their use as selective ALK-2 inhibitors ALK, ACVR2B, ACVR1B ALDH1A1 118/4885HDAC1 3909/4885HDAC6 3268/4885

“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.