SCHEMBL3290531

SCHEMBL3290531

S=C(NCc1cccnc1N1CCCC1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.54
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 1/20 0.47
SCN2A Q99250 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL3288758 0.99 P2RX7 (0.53) P2RX7KMT2AMEN1ALDH1A1HTT
SCHEMBL3288655 0.98 P2RX7 (0.54) P2RX7KMT2AMEN1ALDH1A1HTT
SCHEMBL3292797 0.86 MEN1 (0.46) P2RX7KMT2AMEN1ALDH1A1HTT
SCHEMBL3287121 0.85 ALDH1A1 (0.44) P2RX7KMT2AMEN1ALDH1A1HTT
SCHEMBL3287576 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL3288279 0.83 MEN1 (0.57) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL3292855 0.83 KMT2A (0.44) P2RX7KMT2AMEN1ALDH1A1HTT
SCHEMBL3533100 0.82 DGAT2 (0.48) KMT2AMEN1
SCHEMBL3294550 0.81 KMT2A (0.47) KMT2AMEN1ALDH1A1HTTNPSR1
SCHEMBL3289154 0.81 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HTTNPSR1

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 P2RX7 1/4885KMT2A 3615/4885MEN1 3637/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 P2RX7 1/4885KMT2A 3615/4885MEN1 3637/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 P2RX7 1/4885KMT2A 3615/4885MEN1 3637/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 P2RX7 1/4885KMT2A 3536/4885MEN1 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.