SCHEMBL22492802

SCHEMBL22492802

O=C(c1ccncc1)c1cnccc1Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABL1 P00519 2/20 0.53
BCR P11274 2/20 0.53
PRKCA P17252 2/20 0.53
AKR1C3 P42330 2/20 0.53
AKR1C2 P52895 2/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PTK6 Q13882 2/20 0.50
ERBB2 P04626 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
NPC1 O15118 2/20 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
SCHEMBL23547203 0.94 POLB (0.55) LMNAPOLBCACNA1BAPBA1SMN1; SMN2
SCHEMBL22492749 0.81 PTGS1 (0.54) LMNASMN1; SMN2KMT2A
SCHEMBL22492743 0.81 MEN1 (0.71) LMNAPOLBSMN1; SMN2ABL1BCR
SCHEMBL19657968 0.79 AKR1C3 (0.61) LMNAPOLBSMN1; SMN2AKR1C3AKR1C2
SCHEMBL23547199 0.76 MAPK13 (0.50) AKR1C3AKR1C2KMT2AMEN1MAPT
SCHEMBL1883622 0.75 ABL1 (0.61) LMNAPOLBSMN1; SMN2ABL1BCR
SCHEMBL11393214 0.75 POLB (0.48) POLBCACNA1BAPBA1SMN1; SMN2ABL1
SCHEMBL6396333 0.75 LMNA (0.79) LMNAPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL22492796 0.75 PTGS1 (0.53) LMNAPOLBKMT2AMEN1ALDH1A1
SCHEMBL7787640 0.74 L3MBTL1 (0.68) LMNAPOLBCACNA1BAPBA1SMN1; SMN2

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 LMNA 4060/4885POLB 518/4885CACNA1B 4658/4885

“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.