SCHEMBL22492743

SCHEMBL22492743

O=C(c1ccncc1)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NPC1 O15118 3/20 0.71
RAB9A P51151 3/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 3/20 0.71
KCNH2 Q12809 1/20 0.71
LMNA P02545 3/20 0.53
ABCG2 Q9UNQ0 6/20 0.51
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
PRKCA P17252 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
BAZ1A Q9NRL2 1/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 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
SCHEMBL22492830 0.92 MAPT (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5250932 0.84 MEN1 (0.80) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11788000 0.84 KMT2A (0.74) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5249571 0.83 MAPT (1.00) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5250046 0.83 MEN1 (0.78) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3604286 0.81 KMT2A (0.74) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22492842 0.81 LMNA (0.69) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL22492802 0.81 LMNA (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11790155 0.78 KMT2A (0.69) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8691427 0.77 ALDH1A1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1

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 MEN1 4094/4885KMT2A 938/4885NPC1 2310/4885

“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.