SCHEMBL29319281

SCHEMBL29319281

C#Cc1ccc(C=O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ERN1 O75460 7/20 0.41
VCAM1 P19320 3/20 0.40
PTPN11 Q06124 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
P2RY6 Q15077 1/20 0.36
ALDH3A1 P30838 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL125038 0.83 VCAM1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL29805549 0.83 VCAM1 (0.60) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL11689602 0.80 TSHR (0.50) ALDH1A1MAPTCYP3A4HSD17B10VCAM1
SCHEMBL9793498 0.77 PTPN11 (0.49) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL14714243 0.76 MAPT (0.53) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2372334 0.75 ALDH1A1 (0.56) ALDH1A1MAPTVCAM1PTPN11P2RY6
SCHEMBL2683998 0.75 VCAM1 (0.69) VCAM1MAPK1TDP1
SCHEMBL11377708 0.75 MAPK1 (0.56) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL2394881 0.75 MAPT (0.58) ALDH1A1MAPTCYP3A4ALOX15VCAM1
SCHEMBL10971487 0.74 ALDH5A1 (0.65) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 ALDH1A1 98/4885MAPT 2885/4885KDM4E 727/4885

“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.