SCHEMBL25822220

SCHEMBL25822220

Cc1cc(Oc2cccc([N+](=O)[O-])c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GRM5 P41594 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 2/20 0.47
ACHE P22303 1/20 0.47
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
F10 P00742 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
F2 P00734 1/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3638370 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL4203388 0.82 TSHR (0.67) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL13408224 0.81 LMNA (0.56) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL257933 0.81 LMNA (0.54) ALDH1A1MAPTMEN1KMT2AGRM5
SCHEMBL6273333 0.81 TSHR (0.64) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL30043252 0.81 TSHR (0.64) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL25822301 0.80 KMT2A (0.57) ALDH1A1MAPTMEN1KMT2AGRM5
SCHEMBL7228605 0.80 TSHR (0.53) ALDH1A1MAPTMEN1KMT2AGRM5
SCHEMBL7997068 0.80 MAPT (0.73) ALDH1A1MAPTMEN1KMT2ACHRNB2
SCHEMBL30098452 0.80 MAPT (0.73) ALDH1A1MAPTMEN1KMT2ACHRNB2

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 3871/4885MAPT 3976/4885MEN1 1172/4885

“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.