SCHEMBL25968280

SCHEMBL25968280

COc1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.51
ALPG P10696 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ABCB1 P08183 1/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
FBP1 P09467 1/20 0.48
TP53 P04637 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 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
SCHEMBL30984081 1.00 MAPT (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30984137 0.87 MAPT (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9682949 0.86 MAPT (0.67) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2130528 0.86 MAPT (0.60) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL9681394 0.84 MAPT (0.74) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1180504 0.83 MAPT (0.57) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL8024498 0.83 MAPT (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10353602 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL17934213 0.80 SMN1; SMN2 (0.62) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL23270723 0.80 KMT2A (0.49) MAPTMEN1KMT2AALDH1A1POLB

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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO MAPT 3468/4885MEN1 1143/4885KMT2A 4325/4885

“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.