SCHEMBL3288097

SCHEMBL3288097

S=C(NCc1cccnc1NCc1ccccc1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3290412 0.91 LMNA (0.51) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3288279 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3289154 0.80 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3290406 0.80 LMNA (0.48) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3287413 0.79 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3288483 0.77 ALDH1A1 (0.51) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3288427 0.76 KMT2A (0.52) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3289945 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3288043 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL3288655 0.75 P2RX7 (0.54) MEN1KMT2AALDH1A1HTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 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 (4 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885ALDH1A1 3041/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885ALDH1A1 3041/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 MEN1 3637/4885KMT2A 3615/4885ALDH1A1 3041/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 MEN1 3688/4885KMT2A 3536/4885ALDH1A1 3045/4885

“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.