SCHEMBL22492799

SCHEMBL22492799

COc1cc(Nc2ccncc2C(=O)c2ccccc2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 4/20 0.51
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH1 P35367 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL23547199 0.83 MAPK13 (0.50) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL23547202 0.81 CSNK2A1 (0.45) KMT2AMEN1PTGS1TSHRHDAC3
SCHEMBL22492817 0.77 MEN1 (0.62) HTTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL22492796 0.77 PTGS1 (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL5078980 0.74 PDE4B (0.64) AKR1C3AKR1C2HTTSMN1; SMN2NPC1
SCHEMBL22492819 0.74 MAPK8 (0.55) AKR1C3AKR1C2KMT2AMEN1ALDH1A1
SCHEMBL22492764 0.73 RAB9A (0.52) AKR1C3AKR1C2HTTSMN1; SMN2NPC1
SCHEMBL23547203 0.73 POLB (0.55) AKR1C3AKR1C2SMN1; SMN2NPC1RAB9A
SCHEMBL7835005 0.72 AKR1C3 (0.62) AKR1C3AKR1C2HTTSMN1; SMN2NPC1
SCHEMBL13483908 0.71 KMT2A (0.68) KMT2AMEN1ALDH1A1PTGS1

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 AKR1C3 885/4885AKR1C2 1131/4885HTT 2293/4885

“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.