SCHEMBL29335293

SCHEMBL29335293

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(N)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.55
▸ MCL1 Q07820 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ IDH1 O75874 2/20 0.44
▸ LMNA P02545 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HTT P42858 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NFKBIA P25963 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GUSB P08236 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ MAPK1 P28482 2/20 0.41

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
SCHEMBL29335303 0.78 ACLY (0.39) ALDH1A1IDH1SMN1; SMN2TSHRPOLB
SCHEMBL29335243 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL29335302 0.78 PTGES2 (0.41) ALDH1A1CYP3A4IDH1MEN1KMT2A
SCHEMBL7580376 0.76 NFKBIA (0.55) NHERF1MCL1ALDH1A1CYP3A4TDP1
SCHEMBL23832700 0.74 TSHR (0.58) NHERF1MCL1ALDH1A1LMNAMAPT
SCHEMBL30218132 0.74 TSHR (0.58) NHERF1MCL1ALDH1A1LMNAMAPT
SCHEMBL3019464 0.74 CCR2 (0.59) LMNATSHRPOLB
SCHEMBL23246171 0.74 NHERF1 (0.47) NHERF1MCL1ALDH1A1CYP3A4TDP1
SCHEMBL29335304 0.74 CCR2 (0.44) NHERF1MCL1ALDH1A1NPSR1HPGD
SCHEMBL10126623 0.73 CA12 (0.59) NHERF1MCL1ALDH1A1CYP3A4TDP1

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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 — — 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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS NHERF1 1683/4885MCL1 1257/4885ALDH1A1 1786/4885

“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.

Send feedback