SCHEMBL22492828

SCHEMBL22492828

O=C(c1ccccc1)c1sccc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
AKR1C3 P42330 2/20 0.51
AKR1C2 P52895 2/20 0.51
MAPT P10636 6/20 0.49
POLB P06746 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
BLM P54132 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
HTT P42858 2/20 0.47
DDX3X O00571 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL22492829 0.85 MAPT (0.41) CCNA2CDK2AKR1C3AKR1C2MAPT
SCHEMBL19657968 0.80 AKR1C3 (0.61) AKR1C3AKR1C2MAPTPOLBKMT2A
SCHEMBL22492805 0.80 CDK2 (0.57) CCNA2CDK2MAPTKMT2AMEN1
SCHEMBL22492833 0.80 SIRT2 (0.48) CCNA2CDK2MAPTKMT2AMEN1
SCHEMBL6654667 0.78 MAPK13 (0.63) CCNA2CDK2AKR1C3AKR1C2MAPT
SCHEMBL22492821 0.77 CSNK2A1 (0.49) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL22492801 0.77 MAPT (0.59) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL22492839 0.77 CSNK2A1 (0.49) CCNA2CDK2KMT2AMEN1NPC1
SCHEMBL23547203 0.74 POLB (0.55) AKR1C3AKR1C2MAPTPOLBKMT2A
SCHEMBL4246352 0.73 CTSV (0.70) AKR1C3AKR1C2MAPTPOLBKMT2A

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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
US-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION UNIV CALIFORNIA (US) 2021-06-24 US disclosed
EP-3717450-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION The Regents of the University of California (US) 2020-10-07 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-20210188763-A1 COMPOUNDS AND METHODS FOR HEMATOPOIETIC REGENERATION HGF, CXCL12, CCL11 CCNA2 1014/4885CDK2 1832/4885AKR1C3 885/4885

“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.