SCHEMBL21980985

SCHEMBL21980985

COc1ccc(CC(=O)NNC(=O)O)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.86
TDP1 Q9NUW8 1/20 0.68
PLAU P00749 1/20 0.66
ELANE P08246 1/20 0.66
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
NPC1 O15118 1/20 0.60
POLB P06746 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.56
EGFR P00533 1/20 0.56

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
SCHEMBL9527224 0.83 HTT (0.60) HTTTDP1PLAUELANEMAPT
SCHEMBL21980986 0.81 USP2 (0.59) HTTPLAUELANESMN1; SMN2POLB
SCHEMBL10684986 0.80 HTT (0.76) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL3369060 0.80 HTT (0.76) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL3369054 0.79 HTT (0.73) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL4928502 0.79 HTT (0.73) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL2494898 0.79 HTT (0.73) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL13903449 0.79 HTT (0.71) HTTTDP1PLAUELANEMAPT
SCHEMBL24064509 0.78 ALDH1A1 (0.68) HTTTDP1MAPTSMN1; SMN2NPC1
SCHEMBL240822 0.77 KDM4E (0.74) HTTTDP1MAPTSMN1; SMN2NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2021-10-05 US disclosed
US-20200165230-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 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 (2 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-20200165230-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 HTT 2770/4885TDP1 2836/4885PLAU 2949/4885
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR3, SSTR5 HTT 2770/4885TDP1 2836/4885PLAU 2949/4885

“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.