SCHEMBL21981024

SCHEMBL21981024

O=C(O)NNC(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
MAPT P10636 1/20 0.68
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
SMYD3 Q9H7B4 1/20 0.55
HTT P42858 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SIGMAR1 Q99720 2/20 0.54
MAPK8 P45983 1/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.52
XBP1 P17861 1/20 0.52
ALOX12 P18054 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CSNK1D P48730 1/20 0.51
KCNQ2 O43526 1/20 0.51
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 2/20 0.50
NR4A2 P43354 1/20 0.50

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
SCHEMBL9526863 0.85 MEN1 (0.60) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL3467914 0.84 MEN1 (0.59) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL6867356 0.83 MEN1 (0.68) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL13753606 0.82 MEN1 (0.63) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL6850939 0.81 MEN1 (0.67) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL22275179 0.81 MEN1 (0.55) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL9849523 0.81 MEN1 (0.70) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL7611403 0.81 MEN1 (1.00) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL29935522 0.80 MEN1 (0.65) MEN1KMT2AMAPTHDAC1HDAC8
SCHEMBL378581 0.80 MEN1 (0.65) MEN1KMT2AMAPTHDAC1HDAC8

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 3857/4885MAPT 4291/4885
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 3857/4885MAPT 4291/4885

“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.