SCHEMBL3287127

SCHEMBL3287127

O=C(NCc1cc(F)cnc1N1CCCC1)N(S)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CNR2 P34972 5/20 0.41
TP53 P04637 1/20 0.38
SCN2A Q99250 2/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
CNR1 P21554 1/20 0.37
P2RX7 Q99572 4/20 0.36
SLC2A1 P11166 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
P2RY12 Q9H244 1/20 0.35
PTPN11 Q06124 1/20 0.34

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
SCHEMBL3290536 0.85 P2RX7 (0.51) LMNATHRBSCN2ASCN10AP2RX7
SCHEMBL3292754 0.83 TRPV1 (0.39) LMNATHRBCNR2TP53P2RX7
SCHEMBL3290792 0.80 P2RX7 (0.33) TP53CNR1P2RX7
SCHEMBL3288197 0.79 TRPV1 (0.58) TRPV1
SCHEMBL3294555 0.78 SCN10A (0.40) LMNATHRBSCN2ASCN10ATRPV1
SCHEMBL3287121 0.76 ALDH1A1 (0.44) LMNATHRBP2RX7
SCHEMBL3292860 0.76 MEN1 (0.39) LMNATHRBCNR2TP53CNR1
SCHEMBL3292800 0.75 P2RX7 (0.42) SCN2ASCN10AP2RX7TRPV1
SCHEMBL3289927 0.75 LMNA (0.36) LMNATHRBCNR2CNR1P2RX7
SCHEMBL3292855 0.74 KMT2A (0.44) LMNATHRBP2RX7

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 LMNA 2076/4885THRB 356/4885CNR2 97/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 LMNA 2076/4885THRB 356/4885CNR2 97/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 LMNA 2076/4885THRB 356/4885CNR2 97/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 LMNA 2013/4885THRB 342/4885CNR2 112/4885

“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.