SCHEMBL21981007

SCHEMBL21981007

O=C(O)NNC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.44
MAPK8 P45983 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
HTT P42858 1/20 0.38
SRC P12931 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21980987 0.82 SRC (0.54) MEN1KMT2AALDH1A1MAPK8SIGMAR1
SCHEMBL604118 0.80 MAPK8 (0.48) MEN1KMT2AMAPK8SIGMAR1GAA
SCHEMBL28837322 0.77 GAA (0.51) MEN1KMT2AALDH1A1MAPK8GAA
SCHEMBL13329774 0.76 KMT2A (0.53) MEN1KMT2AALDH1A1MAPK8SIGMAR1
SCHEMBL964757 0.76 MAPK8 (0.50) MEN1KMT2AMAPK8SIGMAR1GAA
SCHEMBL21672231 0.76 KMT2A (0.53) MEN1KMT2AMAPK8SIGMAR1GAA
SCHEMBL14367227 0.76 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPK8SIGMAR1
SCHEMBL15145921 0.75 GAA (0.57) MEN1KMT2AALDH1A1SIGMAR1GAA
SCHEMBL26196749 0.75 APLNR (0.51) MEN1KMT2AALDH1A1MAPK8GAA
SCHEMBL8512 0.74 AKR1B1 (0.48) MEN1KMT2AALDH1A1GAAHTT

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 MEN1 1354/4885KMT2A 3857/4885ALDH1A1 3292/4885
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 MEN1 1354/4885KMT2A 3857/4885ALDH1A1 3292/4885

“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.