SCHEMBL3290566

SCHEMBL3290566

S=C(NCc1cccnc1-c1nccs1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
LMNA P02545 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 6/20 0.48
RAB9A P51151 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 4/20 0.46
ALOX12 P18054 2/20 0.46
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3289072 0.86 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3287413 0.83 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3290248 0.82 P2RX7 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3288427 0.82 KMT2A (0.52) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3288279 0.81 MEN1 (0.57) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3289928 0.80 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3288043 0.79 MEN1 (0.57) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3289945 0.79 MEN1 (0.50) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3289154 0.79 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL3296043 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2AHTT

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 10 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
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO 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 ALDH1A1 3041/4885LMNA 2076/4885MEN1 3637/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885LMNA 2076/4885MEN1 3637/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885LMNA 2076/4885MEN1 3637/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885LMNA 2013/4885MEN1 3688/4885

“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.