SCHEMBL22492830

SCHEMBL22492830

O=C(c1ccccc1)c1cccnc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.73
ALDH1A1 P00352 3/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
KCNH2 Q12809 1/20 0.73
ABCG2 Q9UNQ0 9/20 0.56
DHODH Q02127 2/20 0.54
LMNA P02545 1/20 0.53
PPIA P62937 1/20 0.51
PDE5A O76074 1/20 0.50
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
PRKCA P17252 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
CCNA2 P20248 1/20 0.48

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
SCHEMBL22492743 0.92 MEN1 (0.71) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5250932 0.88 MEN1 (0.80) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL11788000 0.85 KMT2A (0.74) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5249571 0.84 MAPT (1.00) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5250046 0.84 MEN1 (0.78) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL3604286 0.82 KMT2A (0.74) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8694084 0.82 DHODH (0.76) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL19657968 0.82 AKR1C3 (0.61) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL22492826 0.81 LMNA (0.70) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8691427 0.81 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ANPC1

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 MAPT 4809/4885ALDH1A1 514/4885MEN1 4094/4885

“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.