SCHEMBL6512290

SCHEMBL6512290

Cc1cccc2c1nc(-c1cccc(Cl)c1[N+](=O)[O-])n2CC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
DCTPP1 Q9H773 10/20 0.35
PPARG P37231 1/20 0.35
CHEK1 O14757 1/20 0.34
SRC P12931 1/20 0.34
WEE1 P30291 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM1 P11229 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6520390 0.87 ATM (0.36) ATMDCTPP1PPARGTDP1ALDH1A1
SCHEMBL6515682 0.86 ATM (0.53) ATMMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL6520247 0.81 ALDH1A1 (0.40) DCTPP1TDP1ALDH1A1
SCHEMBL6514788 0.78 ALDH1A1 (0.38) DCTPP1PPARGSMN1; SMN2TDP1ALDH1A1
SCHEMBL6514231 0.74 ATM (0.50) ATMPPARGMAPK1HTTSMN1; SMN2
SCHEMBL6514897 0.74 MGAM (0.46) ATMDCTPP1PPARGMAPK1HTT
SCHEMBL6511599 0.73 MGAM (0.42) ATMDCTPP1PPARGSMN1; SMN2
SCHEMBL6514332 0.72
SCHEMBL6514335 0.72
SCHEMBL6513852 0.71 MGAM (0.44) DCTPP1PPARGHTTSMN1; SMN2TDP1

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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands NATIONAL SCIENCE FOUNDATION 2005-10-27 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-20050239767-A1 Intermolecular SNAr of the heterocycle-activated nitro and fluoro groups-application in the synthesis of polyazamacrocyclic ligands TECR, PAICS, DCXR ATM 2834/4885DCTPP1 4167/4885PPARG 1801/4885

“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.