SCHEMBL23749384

SCHEMBL23749384

C[C@H](CC(=O)O)Nc1cc(Br)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.39
PIM1 P11309 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
CASP6 P55212 1/20 0.34
ALDH1A1 P00352 3/20 0.33
FPR2 P25090 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HPD P32754 1/20 0.31

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
SCHEMBL22129300 1.00 HCAR3 (0.39) HCAR3PIM1SMN1; SMN2LMNAHTT
SCHEMBL22129301 1.00 HCAR3 (0.39) HCAR3PIM1SMN1; SMN2LMNAHTT
SCHEMBL22129296 0.89 HCAR3 (0.38) HCAR3SMN1; SMN2LMNAHTTKMT2A
SCHEMBL29743229 0.89 HCAR3 (0.38) HCAR3SMN1; SMN2LMNAHTTKMT2A
SCHEMBL29743215 0.89 HCAR3 (0.38) HCAR3SMN1; SMN2LMNAHTTKMT2A
SCHEMBL22129297 0.89 HCAR3 (0.38) HCAR3SMN1; SMN2LMNAHTTKMT2A
SCHEMBL21522752 0.85 HCAR3 (0.36) HCAR3LMNAKMT2AMEN1GAA
SCHEMBL29788706 0.82 LMNA (0.39) HCAR3SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL20600834 0.82 LMNA (0.39) HCAR3SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL18152724 0.81 HCAR3 (0.47) HCAR3SMN1; SMN2LMNAKMT2AMEN1

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-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2022-01-20 US disclosed
EP-3865488-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-08-18 EP 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 (1 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-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE CDK4, CDK7, CDKL1 HCAR3 4239/4885PIM1 80/4885SMN1; SMN2 4546/4885

“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.