SCHEMBL25822159

SCHEMBL25822159

O=[N+]([O-])c1cc(Nc2ccncc2)ccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
HIF1A Q16665 1/20 0.49
VCAM1 P19320 1/20 0.46
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
MITF O75030 1/20 0.46
HCRTR1 O43613 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5244119 0.84 MEN1 (0.68) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL10572006 0.81 MEN1 (0.53) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL28434042 0.79 SOS1 (0.68) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL4200628 0.79 LMNA (0.62) ALDH1A1HTTRAB9ALMNAKMT2A
SCHEMBL27193273 0.78 ALDH1A1 (0.53) ALDH1A1HTTRAB9ALMNAKMT2A
SCHEMBL396863 0.77 ALDH1A1 (0.60) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL13788566 0.76 ALDH1A1 (0.53) ALDH1A1HTTRAB9ALMNAKMT2A
SCHEMBL7380541 0.75 LMNA (0.56) ALDH1A1HTTRAB9ALMNAKMT2A
SCHEMBL6023486 0.75 LMNA (0.56) ALDH1A1HTTLMNAKMT2AMEN1
SCHEMBL655435 0.75 NPC1 (0.55) ALDH1A1RAB9ALMNAKMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ALDH1A1 3871/4885HTT 3124/4885RAB9A 1255/4885

“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.