SCHEMBL28984045

SCHEMBL28984045

Nc1ccnc([N+](=O)[O-])c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 3/20 0.38
KDM4E B2RXH2 5/20 0.38
NR4A2 P43354 3/20 0.38
SOS2 Q07890 1/20 0.38
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MAPT P10636 4/20 0.36
PKM P14618 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
OPRK1 P41145 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL8141010 0.80 HTT (0.37) HTTALDH1A1MEN1KMT2ATDP1
SCHEMBL1522101 0.80 KDM4E (0.46) S1PR4NPC1RAB9AHTTKDM4E
SCHEMBL8561095 0.78 MEN1 (0.42) HTTKDM4EALDH1A1MEN1KMT2A
SCHEMBL27912760 0.78 TDP1 (0.48) S1PR4NPC1RAB9AHTTKDM4E
SCHEMBL8385465 0.77 CYP3A4 (0.40) HTTKDM4EALDH1A1MEN1KMT2A
SCHEMBL1558545 0.77 S1PR4 (0.39) S1PR4NPC1RAB9AHTTKDM4E
SCHEMBL601835 0.76 HTT (0.50) S1PR4NPC1RAB9AHTTKDM4E
SCHEMBL203785 0.73 MEN1 (0.41) NPC1RAB9AHTTKDM4ENR4A2
SCHEMBL30622636 0.73 MEN1 (0.41) NPC1RAB9AHTTKDM4ENR4A2
SCHEMBL5032018 0.73 HTT (0.41) NPC1RAB9AHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270759-A1 Preparation of SHP2 phosphatase inhibitors and its applications YA THERAPEUTICS INC (CN) 2024-08-15 US disclosed
CN-115960109-B Preparation and application of condensed ring SHP2 phosphatase inhibitor 药雅科技(上海)有限公司 2024-06-25 CN disclosed
CN-115960109-A Preparation and application of fused-ring SHP2 phosphatase inhibitor 药雅科技(上海)有限公司 2023-04-14 CN disclosed
WO-2022237676-A1 PREPARATION AND APPLICATION OF SHP2 PHOSPHATASE INHIBITOR 药雅科技(上海)有限公司 2022-11-17 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 (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-20240270759-A1 Preparation of SHP2 phosphatase inhibitors and its applications PTPN2, PTPN22, PTPN5 S1PR4 1219/4885NPC1 3820/4885RAB9A 2549/4885

“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.