SCHEMBL6867356

SCHEMBL6867356

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
MAPT P10636 1/20 0.68
SMYD3 Q9H7B4 1/20 0.63
MAPK8 P45983 1/20 0.60
KDM4E B2RXH2 1/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
LMNA P02545 1/20 0.56
AOC2 O75106 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HTT P42858 2/20 0.54
CSNK1D P48730 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
KCNQ2 O43526 1/20 0.54
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ACP3 P15309 1/20 0.53
EPHX1 P07099 1/20 0.52

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
SCHEMBL3491722 0.86 TAAR1 (0.57) MEN1KMT2AMAPTSMYD3KDM4E
SCHEMBL6850939 0.85 MEN1 (0.67) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL7194491 0.84 AOC2 (0.67) MEN1KMT2AMAPTSMYD3KDM4E
SCHEMBL23758509 0.83 ALDH1A1 (0.62) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL30496803 0.83 EPHX1 (0.59) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL966493 0.83 EPHX1 (0.59) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL12472056 0.83 MEN1 (0.63) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL21981024 0.83 MEN1 (0.68) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL13753606 0.83 MEN1 (0.63) MEN1KMT2AMAPTSMYD3MAPK8
SCHEMBL13753362 0.83 MEN1 (0.63) MEN1KMT2AMAPTSMYD3MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634406-B1 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 UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
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-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
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
CN-1191255-C Benzodiazepine derivatives as GABA A receptor modulators HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
EP-1337535-B1 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-06-09 EP disclosed
US-6743789-B2 SUBSTITUTED IMIDAZO (1,5-A) (1,2,4) TRIAZOLO (4,3-D) (1,4) BENZODIAZEPINE DERIVATIVES ARE USEFUL FOR TREATING ALZHEIMER'S DISEASE; REACTING A BEZODIAZEPINE DERIVATIVE WITH A HYDRAZIDE DERIVATIVE TO FORM END PRODUCT HOFFMANN-LA ROCHE INC. 2004-06-01 US disclosed
CN-1474820-A Benzodiazepine derivatives as GABA A receptor modulators - 2004-02-11 CN disclosed
EP-1337535-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-27 EP disclosed
US-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002040487-A2 BENZODIAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed
US-5098922-A Anticonvulsants CIBA-GEIGY CORPORATION (US) 1992-03-24 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 (3 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-20020103371-A1 Substituted imidazo [1,5-a] [1,2,4] triazolo [4,3-d] [1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 MEN1 3485/4885KMT2A 1267/4885MAPT 2520/4885
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.