SCHEMBL3289928

SCHEMBL3289928

S=C(NCc1cccnc1-c1cccnc1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 4/20 0.47
RAB9A P51151 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX12 P18054 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KCNN4 O15554 1/20 0.43
KCNA5 P22460 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL3288427 0.89 KMT2A (0.52) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3290330 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288540 0.85 POLB (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3296043 0.85 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3287413 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3290248 0.83 P2RX7 (0.54) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288628 0.82 MEN1 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288279 0.82 MEN1 (0.57) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3289072 0.81 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL3288668 0.81 KCNA5 (0.46) ALDH1A1MEN1KMT2AHTTNPSR1

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 3041/4885MEN1 3637/4885KMT2A 3615/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885MEN1 3637/4885KMT2A 3615/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 ALDH1A1 3041/4885MEN1 3637/4885KMT2A 3615/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 ALDH1A1 3045/4885MEN1 3688/4885KMT2A 3536/4885

“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.