SCHEMBL22169147

SCHEMBL22169147

Cc1ccc([N+](=O)[O-])cc1NNc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
LMNA P02545 3/20 0.53
MAPT P10636 6/20 0.52
MEN1 O00255 5/20 0.52
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CRHBP P24387 1/20 0.50
CYP2C19 P33261 1/20 0.50
CRHR2 Q13324 1/20 0.50
DDX3X O00571 1/20 0.50
GFER P55789 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CXCR1 P25024 1/20 0.49

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
SCHEMBL22169235 0.81 MEN1 (0.68) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL12443496 0.79 CRHBP (0.57) KMT2ALMNAMAPTMEN1MAPK1
Hydrazobenzene SCHEMBL27622421 0.78 LMNA (0.68) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL22169220 0.78 LMNA (0.58) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL3898912 0.77 ALOX12 (0.77) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL1131511 0.76 ALDH1A1 (0.62) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL14068452 0.76 ALDH1A1 (0.55) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL11337250 0.76 MAPT (0.68) KMT2ALMNAMAPTMEN1MAPK1
Hydrochloric Acid SCHEMBL28977230 0.76 ALOX12 (0.74) KMT2ALMNAMAPTMEN1MAPK1
SCHEMBL4320209 0.76 HTT (0.68) KMT2ALMNAMAPTMEN1MAPK1

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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KMT2A 221/4885LMNA 3527/4885MAPT 4568/4885

“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.